2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide

C16H17N3O2 — CID 61117390

IUPAC2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-13(17)14(10)16(21)19-12-8-6-11(7-9-12)15(20)18-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUBHGTKNQKZGHKM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide

2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 61117390) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID61117390
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-13(17)14(10)16(21)19-12-8-6-11(7-9-12)15(20)18-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUBHGTKNQKZGHKM-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
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-ethylphenyl)-6-methylbenzamide
CID 16788782
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
2-amino-6-methyl-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574320
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 61117390) is 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2c(C)cccc2N)cc1.
What is the InChIKey of 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is UBHGTKNQKZGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-3-5-13(17)14(10)16(21)19-12-8-6-11(7-9-12)15(20)18-2/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide?
2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 61117390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).