N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide

C16H16ClNO2 — CID 2971835

IUPACN-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-20-14-8-5-7-12(10-14)16(19)18-11-13-6-3-4-9-15(13)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyQDCZHESZAQLQBP-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide

N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide (PubChem CID 2971835) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
PubChem CID2971835
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-20-14-8-5-7-12(10-14)16(19)18-11-13-6-3-4-9-15(13)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyQDCZHESZAQLQBP-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methylcarbamothioyl]-3-ethoxybenzamide
CID 17194426
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide (CID 2971835) is N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide?
The InChIKey is QDCZHESZAQLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-20-14-8-5-7-12(10-14)16(19)18-11-13-6-3-4-9-15(13)17/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide?
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide is sourced from PubChem (CID 2971835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).