N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide

C12H13ClN4O — CID 16791927

IUPACN-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
SMILESNc1cc(NC(=O)CCn2ccnc2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c13-10-2-1-9(7-11(10)14)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5,14H2,(H,16,18)
InChIKeyVXPROMSRPZHYLH-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.15
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide

N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide (PubChem CID 16791927) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
PubChem CID16791927
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
SMILESNc1cc(NC(=O)CCn2ccnc2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c13-10-2-1-9(7-11(10)14)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5,14H2,(H,16,18)
InChIKeyVXPROMSRPZHYLH-UHFFFAOYSA-N
XLogP2.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
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N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
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N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
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methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
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CID 115627274
N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
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N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
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N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide (CID 16791927) is N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide is Nc1cc(NC(=O)CCn2ccnc2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is VXPROMSRPZHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-10-2-1-9(7-11(10)14)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5,14H2,(H,16,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 264.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 16791927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).