4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide

C16H17ClN2O2 — CID 60696773

IUPAC4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-16(20)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)21-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyZWOWEYQXFRFJCQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.32
Rot. Bonds5

About 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide

4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide (PubChem CID 60696773) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
PubChem CID60696773
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C16H17ClN2O2/c1-18-16(20)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)21-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyZWOWEYQXFRFJCQ-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
CID 167835973
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-nitroaniline
CID 82862816
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide (CID 60696773) is 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide?
The InChIKey is ZWOWEYQXFRFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-16(20)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)21-2/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide?
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 60696773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).