2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide

C23H21ClN2O3 — CID 7613421

IUPAC2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-15-7-11-18(12-8-15)29-19-13-9-17(10-14-19)26-22(27)16(2)25-23(28)20-5-3-4-6-21(20)24/h3-14,16H,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPVQBWZNMNINKLG-INIZCTEOSA-N
MW408.89 g/mol
LogP5.20
Rot. Bonds6

About 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 7613421) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID7613421
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-15-7-11-18(12-8-15)29-19-13-9-17(10-14-19)26-22(27)16(2)25-23(28)20-5-3-4-6-21(20)24/h3-14,16H,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPVQBWZNMNINKLG-INIZCTEOSA-N
XLogP5.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531958
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide (CID 7613421) is 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide is Cc1ccc(Oc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)cc2)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is PVQBWZNMNINKLG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-7-11-18(12-8-15)29-19-13-9-17(10-14-19)26-22(27)16(2)25-23(28)20-5-3-4-6-21(20)24/h3-14,16H,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 7613421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).