2-chloro-N-(2-methoxy-4-methylphenyl)propanamide

C11H14ClNO2 — CID 60934492

IUPAC2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
SMILESCOc1cc(C)ccc1NC(=O)C(C)Cl
InChIInChI=1S/C11H14ClNO2/c1-7-4-5-9(10(6-7)15-3)13-11(14)8(2)12/h4-6,8H,1-3H3,(H,13,14)
InChIKeyAXIKUGHOTJLQHX-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide

2-chloro-N-(2-methoxy-4-methylphenyl)propanamide (PubChem CID 60934492) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
PubChem CID60934492
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
SMILESCOc1cc(C)ccc1NC(=O)C(C)Cl
InChIInChI=1S/C11H14ClNO2/c1-7-4-5-9(10(6-7)15-3)13-11(14)8(2)12/h4-6,8H,1-3H3,(H,13,14)
InChIKeyAXIKUGHOTJLQHX-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
CID 58607437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide (CID 60934492) is 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide is COc1cc(C)ccc1NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide?
The InChIKey is AXIKUGHOTJLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-4-5-9(10(6-7)15-3)13-11(14)8(2)12/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide?
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide has a molecular weight of 227.69 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-4-methylphenyl)propanamide is sourced from PubChem (CID 60934492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).