N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide

C16H16ClNO3 — CID 1335598

IUPACN-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3/c1-20-14-7-12(8-15(9-14)21-2)16(19)18-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRZKXHYRNESLQAR-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide

N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 1335598) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID1335598
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3/c1-20-14-7-12(8-15(9-14)21-2)16(19)18-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRZKXHYRNESLQAR-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

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide (CID 1335598) is N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is RZKXHYRNESLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-7-12(8-15(9-14)21-2)16(19)18-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide?
N-[(4-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-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).