3-amino-4,5-dimethyl-2-phenylbenzamide

C15H16N2O — CID 87844639

IUPAC3-amino-4,5-dimethyl-2-phenylbenzamide
SMILESCc1cc(C(N)=O)c(-c2ccccc2)c(N)c1C
InChIInChI=1S/C15H16N2O/c1-9-8-12(15(17)18)13(14(16)10(9)2)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeySIMNZNOBQPWNTB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds2

About 3-amino-4,5-dimethyl-2-phenylbenzamide

3-amino-4,5-dimethyl-2-phenylbenzamide (PubChem CID 87844639) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-2-phenylbenzamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-2-phenylbenzamide
PubChem CID87844639
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-amino-4,5-dimethyl-2-phenylbenzamide
SMILESCc1cc(C(N)=O)c(-c2ccccc2)c(N)c1C
InChIInChI=1S/C15H16N2O/c1-9-8-12(15(17)18)13(14(16)10(9)2)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeySIMNZNOBQPWNTB-UHFFFAOYSA-N
XLogP2.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
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

2,5-dimethyl-4-phenylbenzamide
CID 174491618
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300
3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
CID 151957511
3-hydroxy-4-phenylnaphthalene-2-carboxamide
CID 20573935
2-methylbenzamide;molecular hydrogen
CID 177161283
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-2-phenylbenzamide?
The IUPAC name of 3-amino-4,5-dimethyl-2-phenylbenzamide (CID 87844639) is 3-amino-4,5-dimethyl-2-phenylbenzamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-2-phenylbenzamide?
The canonical SMILES for 3-amino-4,5-dimethyl-2-phenylbenzamide is Cc1cc(C(N)=O)c(-c2ccccc2)c(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-2-phenylbenzamide?
The InChIKey is SIMNZNOBQPWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-8-12(15(17)18)13(14(16)10(9)2)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3,(H2,17,18).
What are the key properties of 3-amino-4,5-dimethyl-2-phenylbenzamide?
3-amino-4,5-dimethyl-2-phenylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-2-phenylbenzamide is sourced from PubChem (CID 87844639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).