N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide

C15H15ClN2O — CID 107999858

IUPACN-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyMSCMVCIGNDTUCC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide

N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide (PubChem CID 107999858) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
PubChem CID107999858
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyMSCMVCIGNDTUCC-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide (CID 107999858) is N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide?
The InChIKey is MSCMVCIGNDTUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-4-3-5-10(2)14(9)15(19)18-11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide?
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 107999858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).