2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C18H20ClNO2 — CID 7794665

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-10-16(8-9-17(13)19)22-12-18(21)20-11-14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyQPGRZCXPWGVHTN-CQSZACIVSA-N
MW317.82 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7794665) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7794665
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-10-16(8-9-17(13)19)22-12-18(21)20-11-14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyQPGRZCXPWGVHTN-CQSZACIVSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82009951
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 17014631
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 7794665) is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is Cc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is QPGRZCXPWGVHTN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-10-16(8-9-17(13)19)22-12-18(21)20-11-14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7794665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).