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

C16H15ClFNO2 — CID 7734043

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-13(9-15(10)17)19-16(20)11(2)21-14-7-4-12(18)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyBLEBZGBAQITEMF-NSHDSACASA-N
MW307.75 g/mol
LogP4.19
Rot. Bonds4

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

(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 7734043) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID7734043
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-13(9-15(10)17)19-16(20)11(2)21-14-7-4-12(18)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyBLEBZGBAQITEMF-NSHDSACASA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
CID 26074860
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(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
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide (CID 7734043) is (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is BLEBZGBAQITEMF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-6-13(9-15(10)17)19-16(20)11(2)21-14-7-4-12(18)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 307.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 7734043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).