3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide

C16H17ClN2O2 — CID 61117258

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyOILXIRRINTUOJM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds4

About 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide

3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 61117258) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID61117258
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyOILXIRRINTUOJM-UHFFFAOYSA-N
XLogP3.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide (CID 61117258) is 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1N.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is OILXIRRINTUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(10-11-4-3-5-13(17)8-11)16(20)12-6-7-15(21-2)14(18)9-12/h3-9H,10,18H2,1-2H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 61117258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).