N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide

C16H13ClN4O2 — CID 56793324

IUPACN-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc2[nH]cnc12
InChIInChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)16(23)18-8-14(22)21-13-7-3-6-12-15(13)20-9-19-12/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeySIRJEUQGCGCUSO-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide

N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide (PubChem CID 56793324) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide
PubChem CID56793324
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc2[nH]cnc12
InChIInChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)16(23)18-8-14(22)21-13-7-3-6-12-15(13)20-9-19-12/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeySIRJEUQGCGCUSO-UHFFFAOYSA-N
XLogP2.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
1H-benzimidazole-4-carboxylic acid
CID 2771758
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide (CID 56793324) is N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1cccc2[nH]cnc12.
What is the InChIKey of N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is SIRJEUQGCGCUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)16(23)18-8-14(22)21-13-7-3-6-12-15(13)20-9-19-12/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide?
N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 328.76 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 56793324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).