2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C16H16ClNO3 — CID 110763493

IUPAC2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-12-5-3-11(4-6-12)10-18-16(19)14-8-7-13(21-2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySMCXMTICZQHFHD-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 110763493) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID110763493
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-12-5-3-11(4-6-12)10-18-16(19)14-8-7-13(21-2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySMCXMTICZQHFHD-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

2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-chloro-N-[(4-methoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 110763493) is 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(OC)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is SMCXMTICZQHFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-12-5-3-11(4-6-12)10-18-16(19)14-8-7-13(21-2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide 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 2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110763493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).