3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide

C13H14ClN3O2 — CID 60966650

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-19-11-4-2-9(8-10(11)14)3-5-12(18)17-13-15-6-7-16-13/h2,4,6-8H,3,5H2,1H3,(H2,15,16,17,18)
InChIKeyOIPAKTQTUSMGJQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide (PubChem CID 60966650) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
PubChem CID60966650
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-19-11-4-2-9(8-10(11)14)3-5-12(18)17-13-15-6-7-16-13/h2,4,6-8H,3,5H2,1H3,(H2,15,16,17,18)
InChIKeyOIPAKTQTUSMGJQ-UHFFFAOYSA-N
XLogP2.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
3-(3-chloro-4-methylphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60967807
3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 47164092
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 110744092
3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55510042
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
CID 70138927
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide (CID 60966650) is 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2ncc[nH]2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is OIPAKTQTUSMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-11-4-2-9(8-10(11)14)3-5-12(18)17-13-15-6-7-16-13/h2,4,6-8H,3,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 279.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 60966650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).