3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide

C13H15ClN4O — CID 43695461

IUPAC3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H15ClN4O/c1-9(7-18-5-4-16-8-18)17-13(19)10-2-3-11(14)12(15)6-10/h2-6,8-9H,7,15H2,1H3,(H,17,19)
InChIKeySZNDIIFFJQDOGF-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide

3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide (PubChem CID 43695461) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
PubChem CID43695461
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H15ClN4O/c1-9(7-18-5-4-16-8-18)17-13(19)10-2-3-11(14)12(15)6-10/h2-6,8-9H,7,15H2,1H3,(H,17,19)
InChIKeySZNDIIFFJQDOGF-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
6-amino-N-(1-imidazol-1-ylpropan-2-yl)pyridazine-3-carboxamide
CID 62185317
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide (CID 43695461) is 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide is CC(Cn1ccnc1)NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
The InChIKey is SZNDIIFFJQDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(7-18-5-4-16-8-18)17-13(19)10-2-3-11(14)12(15)6-10/h2-6,8-9H,7,15H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide?
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 43695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).