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

C10H12ClNO2 — CID 532269

IUPAC2-chloro-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13)
InChIKeyDGAWNIKUBVWNHS-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)propanamide

2-chloro-N-(4-methoxyphenyl)propanamide (PubChem CID 532269) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)propanamide
PubChem CID532269
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13)
InChIKeyDGAWNIKUBVWNHS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)propanamide (CID 532269) is 2-chloro-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)propanamide?
The InChIKey is DGAWNIKUBVWNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)propanamide?
2-chloro-N-(4-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 2-chloro-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).