N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide

C16H17ClN2O — CID 62510687

IUPACN-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-15(18-2)13(9-11)16(20)19-10-12-5-3-4-6-14(12)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMGJQMPCPOMUIHW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide

N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide (PubChem CID 62510687) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
PubChem CID62510687
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-15(18-2)13(9-11)16(20)19-10-12-5-3-4-6-14(12)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMGJQMPCPOMUIHW-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
N-(2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 65499464
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
5-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523940
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
5-methyl-2-(methylamino)-N-(2-propylphenyl)benzamide
CID 62509909
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide (CID 62510687) is N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide?
The InChIKey is MGJQMPCPOMUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-7-8-15(18-2)13(9-11)16(20)19-10-12-5-3-4-6-14(12)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide?
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62510687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).