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

C10H12ClNO2 — CID 2785756

IUPAC3-chloro-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(7-9)12-10(13)5-6-11/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQPTGURLLHGYZOA-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.26
Rot. Bonds4

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

3-chloro-N-(3-methoxyphenyl)propanamide (PubChem CID 2785756) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxyphenyl)propanamide
PubChem CID2785756
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-chloro-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(7-9)12-10(13)5-6-11/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQPTGURLLHGYZOA-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-methoxyphenyl)propanamide (CID 2785756) is 3-chloro-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-(3-methoxyphenyl)propanamide?
The InChIKey is QPTGURLLHGYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(7-9)12-10(13)5-6-11/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-(3-methoxyphenyl)propanamide?
3-chloro-N-(3-methoxyphenyl)propanamide has a molecular weight of 213.66 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 2785756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).