N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide

C16H16ClNO2 — CID 723566

IUPACN-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H16ClNO2/c1-3-20-15-10-5-4-7-12(15)16(19)18-14-9-6-8-13(17)11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyKIWHKUSSARUJDQ-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.30
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide

N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide (PubChem CID 723566) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
PubChem CID723566
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H16ClNO2/c1-3-20-15-10-5-4-7-12(15)16(19)18-14-9-6-8-13(17)11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyKIWHKUSSARUJDQ-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122972
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide (CID 723566) is N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide?
The InChIKey is KIWHKUSSARUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-20-15-10-5-4-7-12(15)16(19)18-14-9-6-8-13(17)11(14)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide?
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide is sourced from PubChem (CID 723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).