N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide

C63H46ClF10N3O6 — CID 160671674

IUPACN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide
SMILESCOc1ccc(C)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccc(Cl)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F6NO2.C21H17F2NO2.C20H14ClF2NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28;1-13-6-11-19(26-2)17(12-13)14-7-9-15(10-8-14)24-21(25)16-4-3-5-18(22)20(16)23;1-26-18-10-7-13(21)11-16(18)12-5-8-14(9-6-12)24-20(25)15-3-2-4-17(22)19(15)23/h2-12H,1H3,(H,29,30);3-12H,1-2H3,(H,24,25);2-11H,1H3,(H,24,25)
InChIKeyRMZULELKMJBMBN-UHFFFAOYSA-N
MW1166.51 g/mol
LogP17.40
Rot. Bonds12

About N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide

N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide (PubChem CID 160671674) has the molecular formula C63H46ClF10N3O6 and a molecular weight of 1166.51 g/mol. Its IUPAC name is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide
PubChem CID160671674
Molecular FormulaC63H46ClF10N3O6
Molecular Weight1166.51 g/mol
Exact Mass1165.29
IUPAC NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide
SMILESCOc1ccc(C)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccc(Cl)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F6NO2.C21H17F2NO2.C20H14ClF2NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28;1-13-6-11-19(26-2)17(12-13)14-7-9-15(10-8-14)24-21(25)16-4-3-5-18(22)20(16)23;1-26-18-10-7-13(21)11-16(18)12-5-8-14(9-6-12)24-20(25)15-3-2-4-17(22)19(15)23/h2-12H,1H3,(H,29,30);3-12H,1-2H3,(H,24,25);2-11H,1H3,(H,24,25)
InChIKeyRMZULELKMJBMBN-UHFFFAOYSA-N
XLogP17.40
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.51
LogP ≤ 517.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide with MolForge

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Related Compounds

3-chloro-N-[4-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524146
3-chloro-N-[2-fluoro-4-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524619
N-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenyl]-4-[2-[2-(4-methoxyphenyl)ethylamino]propyl]benzamide
CID 44533922
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(1-adamantyl)carbamate
CID 155543274
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 2268366
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N-(1-adamantyl)carbamate
CID 155541375
5-chloro-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684084
2-benzyloxy-N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-benzamide
CID 71508592
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate
CID 118707138
5-chloro-N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenylmethoxybenzamide
CID 162648893
5-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[4-(trifluoromethyl)anilino]propan-2-yl]amino]-3-phenylpropan-2-yl]-2-phenylmethoxybenzamide
CID 162654022
5-chloro-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[4-(trifluoromethyl)anilino]propan-2-yl]amino]pentan-2-yl]-2-phenylmethoxybenzamide
CID 162655530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide?
The IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide (CID 160671674) is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide is COc1ccc(C)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccc(Cl)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide?
The InChIKey is RMZULELKMJBMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO2.C21H17F2NO2.C20H14ClF2NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28;1-13-6-11-19(26-2)17(12-13)14-7-9-15(10-8-14)24-21(25)16-4-3-5-18(22)20(16)23;1-26-18-10-7-13(21)11-16(18)12-5-8-14(9-6-12)24-20(25)15-3-2-4-17(22)19(15)23/h2-12H,1H3,(H,29,30);3-12H,1-2H3,(H,24,25);2-11H,1H3,(H,24,25).
What are the key properties of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide?
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide has a molecular weight of 1166.51 g/mol, XLogP of 17.40, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide;N-[4-(5-chloro-2-methoxyphenyl)phenyl]-2,3-difluorobenzamide;2,3-difluoro-N-[4-(2-methoxy-5-methylphenyl)phenyl]benzamide is sourced from PubChem (CID 160671674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).