N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide

C23H17F6N3O3 — CID 118877652

IUPACN-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
SMILESN[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H17F6N3O3/c24-22(25,26)19(30)21(34)32-17-12-16(10-11-18(17)35-23(27,28)29)31-20(33)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19H,30H2,(H,31,33)(H,32,34)/t19-/m1/s1
InChIKeyOVYCSUCKXJIFMV-LJQANCHMSA-N
MW497.40 g/mol
LogP5.33
Rot. Bonds6

About N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide

N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide (PubChem CID 118877652) has the molecular formula C23H17F6N3O3 and a molecular weight of 497.40 g/mol. Its IUPAC name is N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
PubChem CID118877652
Molecular FormulaC23H17F6N3O3
Molecular Weight497.40 g/mol
Exact Mass497.12
IUPAC NameN-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
SMILESN[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H17F6N3O3/c24-22(25,26)19(30)21(34)32-17-12-16(10-11-18(17)35-23(27,28)29)31-20(33)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19H,30H2,(H,31,33)(H,32,34)/t19-/m1/s1
InChIKeyOVYCSUCKXJIFMV-LJQANCHMSA-N
XLogP5.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
CID 90459921
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
3-[(2-chloroacetyl)amino]-N-(5-phenylpyrimidin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385290
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
3-amino-N-(5-phenylpyrimidin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385340
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480438
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide (CID 118877652) is N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide is N[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The InChIKey is OVYCSUCKXJIFMV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17F6N3O3/c24-22(25,26)19(30)21(34)32-17-12-16(10-11-18(17)35-23(27,28)29)31-20(33)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19H,30H2,(H,31,33)(H,32,34)/t19-/m1/s1.
What are the key properties of N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide has a molecular weight of 497.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 118877652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).