N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide

C16H16ClNO3 — CID 881091

IUPACN-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLKIQUTONFKBZBO-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide

N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 881091) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID881091
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLKIQUTONFKBZBO-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9079335
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 800738
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 4863029

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide (CID 881091) is N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is LKIQUTONFKBZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 881091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).