2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide

C29H25ClN2O3 — CID 2087143

IUPAC2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O3/c30-26-14-8-7-13-25(26)29(34)32-27(22-11-5-2-6-12-22)19-28(33)31-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21/h1-18,27H,19-20H2,(H,31,33)(H,32,34)/t27-/m1/s1
InChIKeyLGSUXTZCFILVSF-HHHXNRCGSA-N
MW484.98 g/mol
LogP6.42
Rot. Bonds9

About 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide

2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide (PubChem CID 2087143) has the molecular formula C29H25ClN2O3 and a molecular weight of 484.98 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
PubChem CID2087143
Molecular FormulaC29H25ClN2O3
Molecular Weight484.98 g/mol
Exact Mass484.16
IUPAC Name2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O3/c30-26-14-8-7-13-25(26)29(34)32-27(22-11-5-2-6-12-22)19-28(33)31-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21/h1-18,27H,19-20H2,(H,31,33)(H,32,34)/t27-/m1/s1
InChIKeyLGSUXTZCFILVSF-HHHXNRCGSA-N
XLogP6.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 112772284
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
CID 46425036
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
CID 26249276
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 60540296
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide (CID 2087143) is 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide is O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide?
The InChIKey is LGSUXTZCFILVSF-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H25ClN2O3/c30-26-14-8-7-13-25(26)29(34)32-27(22-11-5-2-6-12-22)19-28(33)31-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21/h1-18,27H,19-20H2,(H,31,33)(H,32,34)/t27-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide?
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide has a molecular weight of 484.98 g/mol, XLogP of 6.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide is sourced from PubChem (CID 2087143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).