N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide

C13H13ClN4O2 — CID 81257482

IUPACN-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)n2ccnc2)c1
InChIInChI=1S/C13H13ClN4O2/c1-2-12(19)16-9-3-4-10(14)11(7-9)17-13(20)18-6-5-15-8-18/h3-8H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyMQZDJTGXXIFURG-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.97
Rot. Bonds3

About N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide (PubChem CID 81257482) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
PubChem CID81257482
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)n2ccnc2)c1
InChIInChI=1S/C13H13ClN4O2/c1-2-12(19)16-9-3-4-10(14)11(7-9)17-13(20)18-6-5-15-8-18/h3-8H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyMQZDJTGXXIFURG-UHFFFAOYSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide (CID 81257482) is N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)n2ccnc2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide?
The InChIKey is MQZDJTGXXIFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-2-12(19)16-9-3-4-10(14)11(7-9)17-13(20)18-6-5-15-8-18/h3-8H,2H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).