(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide

C16H15BrClNO2 — CID 7900423

IUPAC(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-10-3-6-13(9-15(10)18)19-16(20)11(2)21-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyPKLLYWQFIDZADL-NSHDSACASA-N
MW368.66 g/mol
LogP4.82
Rot. Bonds4

About (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide

(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 7900423) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID7900423
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-10-3-6-13(9-15(10)18)19-16(20)11(2)21-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyPKLLYWQFIDZADL-NSHDSACASA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide 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

(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide (CID 7900423) is (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is PKLLYWQFIDZADL-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-3-6-13(9-15(10)18)19-16(20)11(2)21-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 7900423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).