2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide

C13H15ClN4O — CID 82546842

IUPAC2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H15ClN4O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7,15H2,(H,17,19)
InChIKeyQXTSWWBDGIPJBQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide

2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 82546842) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID82546842
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H15ClN4O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7,15H2,(H,17,19)
InChIKeyQXTSWWBDGIPJBQ-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-4-oxo-1H-quinoline-8-carboxamide
CID 52912494
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide (CID 82546842) is 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide is Nc1c(Cl)cccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is QXTSWWBDGIPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7,15H2,(H,17,19).
What are the key properties of 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 82546842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).