3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide

C12H16ClNO2 — CID 115162379

IUPAC3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
SMILESCOc1ccc(C)cc1N(C)C(=O)CCCl
InChIInChI=1S/C12H16ClNO2/c1-9-4-5-11(16-3)10(8-9)14(2)12(15)6-7-13/h4-5,8H,6-7H2,1-3H3
InChIKeyLHPFYXDPXAXFGP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide

3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide (PubChem CID 115162379) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
PubChem CID115162379
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
SMILESCOc1ccc(C)cc1N(C)C(=O)CCCl
InChIInChI=1S/C12H16ClNO2/c1-9-4-5-11(16-3)10(8-9)14(2)12(15)6-7-13/h4-5,8H,6-7H2,1-3H3
InChIKeyLHPFYXDPXAXFGP-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
CID 115171963
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide (CID 115162379) is 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide is COc1ccc(C)cc1N(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide?
The InChIKey is LHPFYXDPXAXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9-4-5-11(16-3)10(8-9)14(2)12(15)6-7-13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide?
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115162379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).