N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide

C16H19N3O — CID 43146782

IUPACN-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
SMILESCc1c(N)cccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-11-14(17)8-5-9-15(11)18-16(20)12-6-4-7-13(10-12)19(2)3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyBDDZVBNNJXVIKR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide

N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide (PubChem CID 43146782) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
PubChem CID43146782
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
SMILESCc1c(N)cccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-11-14(17)8-5-9-15(11)18-16(20)12-6-4-7-13(10-12)19(2)3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyBDDZVBNNJXVIKR-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
CID 110660161
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
CID 174393295
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide (CID 43146782) is N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide is Cc1c(N)cccc1NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide?
The InChIKey is BDDZVBNNJXVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-14(17)8-5-9-15(11)18-16(20)12-6-4-7-13(10-12)19(2)3/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide?
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 43146782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).