4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide

C24H20F4N2O4 — CID 155944735

IUPAC4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O
InChIInChI=1S/C24H20F4N2O4/c1-33-20-12-16(7-10-19(20)34-13-21(29)31)23(32)30-22(14-5-8-18(25)9-6-14)15-3-2-4-17(11-15)24(26,27)28/h2-12,22H,13H2,1H3,(H2,29,31)(H,30,32)
InChIKeySEZMRTNOKLPKPZ-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.24
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 155944735) has the molecular formula C24H20F4N2O4 and a molecular weight of 476.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
PubChem CID155944735
Molecular FormulaC24H20F4N2O4
Molecular Weight476.43 g/mol
Exact Mass476.14
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O
InChIInChI=1S/C24H20F4N2O4/c1-33-20-12-16(7-10-19(20)34-13-21(29)31)23(32)30-22(14-5-8-18(25)9-6-14)15-3-2-4-17(11-15)24(26,27)28/h2-12,22H,13H2,1H3,(H2,29,31)(H,30,32)
InChIKeySEZMRTNOKLPKPZ-UHFFFAOYSA-N
XLogP4.24
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 158545251

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide (CID 155944735) is 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide is COc1cc(C(=O)NC(c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is SEZMRTNOKLPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O4/c1-33-20-12-16(7-10-19(20)34-13-21(29)31)23(32)30-22(14-5-8-18(25)9-6-14)15-3-2-4-17(11-15)24(26,27)28/h2-12,22H,13H2,1H3,(H2,29,31)(H,30,32).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 476.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 155944735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).