N-(3-chloro-2-methylphenyl)-4-ethylbenzamide

C16H16ClNO — CID 2671399

IUPACN-(3-chloro-2-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C16H16ClNO/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyWMKIANLLOILNTR-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.46
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-ethylbenzamide

N-(3-chloro-2-methylphenyl)-4-ethylbenzamide (PubChem CID 2671399) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-ethylbenzamide
PubChem CID2671399
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C16H16ClNO/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyWMKIANLLOILNTR-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907858
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
CID 73390326

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-ethylbenzamide (CID 2671399) is N-(3-chloro-2-methylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-ethylbenzamide?
The InChIKey is WMKIANLLOILNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-ethylbenzamide?
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 2671399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).