2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide

C13H13ClN4O2 — CID 173125449

IUPAC2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide
SMILESNC(=O)c1c(Cl)cccc1CCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H13ClN4O2/c14-9-3-1-2-8(11(9)12(15)20)4-5-10(19)18-13-16-6-7-17-13/h1-3,6-7H,4-5H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyJPPANAWOXTZHTQ-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.73
Rot. Bonds5

About 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide

2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 173125449) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide
PubChem CID173125449
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide
SMILESNC(=O)c1c(Cl)cccc1CCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H13ClN4O2/c14-9-3-1-2-8(11(9)12(15)20)4-5-10(19)18-13-16-6-7-17-13/h1-3,6-7H,4-5H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyJPPANAWOXTZHTQ-UHFFFAOYSA-N
XLogP1.73
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
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3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
CID 70138927
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
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5-bromo-N-(1H-imidazol-2-yl)pentanamide
CID 107910080
2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 43078049
2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60968109
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
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CID 82852623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide (CID 173125449) is 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide is NC(=O)c1c(Cl)cccc1CCC(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is JPPANAWOXTZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-3-1-2-8(11(9)12(15)20)4-5-10(19)18-13-16-6-7-17-13/h1-3,6-7H,4-5H2,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide?
2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 292.73 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 173125449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).