N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide

C13H12ClN3O — CID 116798386

IUPACN-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)12(18)16-11-7-8-15-13(14)17-11/h3-8H,2H2,1H3,(H,15,16,17,18)
InChIKeyWGEXZHZVFBFMJA-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.94
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide

N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide (PubChem CID 116798386) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
PubChem CID116798386
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)12(18)16-11-7-8-15-13(14)17-11/h3-8H,2H2,1H3,(H,15,16,17,18)
InChIKeyWGEXZHZVFBFMJA-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide (CID 116798386) is N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide?
The InChIKey is WGEXZHZVFBFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-9-5-3-4-6-10(9)12(18)16-11-7-8-15-13(14)17-11/h3-8H,2H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide?
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide has a molecular weight of 261.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide is sourced from PubChem (CID 116798386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).