3-chloro-N-(4-methoxyphenyl)propanamide

C10H12ClNO2 — CID 532059

IUPAC3-chloro-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyZVNNQFDBJXKWOE-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-N-(4-methoxyphenyl)propanamide

3-chloro-N-(4-methoxyphenyl)propanamide (PubChem CID 532059) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)propanamide
PubChem CID532059
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-chloro-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyZVNNQFDBJXKWOE-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

Phenacetin
CID 4754
Bucetin
CID 14130
N-(4-Methoxyphenyl)Acetamide
CID 5827
Dulcin
CID 9013
4,4'-Dimethoxydiphenylamine
CID 7571
Diamfenetide
CID 37384
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
4'-Methoxyacetoacetanilide
CID 21576
3'-Amino-4'-methoxyacetanilide
CID 80779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)propanamide (CID 532059) is 3-chloro-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)propanamide?
The InChIKey is ZVNNQFDBJXKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-(4-methoxyphenyl)propanamide?
3-chloro-N-(4-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-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 532059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).