2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C16H17ClN2O2 — CID 61112358

IUPAC2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-8-5-12(17)9-15(14)18/h3-9H,10,18H2,1-2H3
InChIKeyLCOLUTWJACSYRG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds4

About 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 61112358) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID61112358
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-8-5-12(17)9-15(14)18/h3-9H,10,18H2,1-2H3
InChIKeyLCOLUTWJACSYRG-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

2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110291126
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 61112358) is 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is LCOLUTWJACSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-8-5-12(17)9-15(14)18/h3-9H,10,18H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-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 2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61112358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).