(2S)-2-chloro-N-(3-methoxyphenyl)propanamide

C10H12ClNO2 — CID 6591303

IUPAC(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJDIWUXIJTVDGMA-ZETCQYMHSA-N
MW213.66 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-chloro-N-(3-methoxyphenyl)propanamide

(2S)-2-chloro-N-(3-methoxyphenyl)propanamide (PubChem CID 6591303) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2S)-2-chloro-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
PubChem CID6591303
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJDIWUXIJTVDGMA-ZETCQYMHSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(3-methoxyphenyl)propanamide (CID 6591303) is (2S)-2-chloro-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)Cl)c1.
What is the InChIKey of (2S)-2-chloro-N-(3-methoxyphenyl)propanamide?
The InChIKey is JDIWUXIJTVDGMA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(3-methoxyphenyl)propanamide?
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide has a molecular weight of 213.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 6591303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).