N-(3-aminophenyl)-N,2,3-trimethylbenzamide

C16H18N2O — CID 61296941

IUPACN-(3-aminophenyl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2cccc(N)c2)c1C
InChIInChI=1S/C16H18N2O/c1-11-6-4-9-15(12(11)2)16(19)18(3)14-8-5-7-13(17)10-14/h4-10H,17H2,1-3H3
InChIKeyFCBQKNGUWIUTOK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds2

About N-(3-aminophenyl)-N,2,3-trimethylbenzamide

N-(3-aminophenyl)-N,2,3-trimethylbenzamide (PubChem CID 61296941) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N,2,3-trimethylbenzamide
PubChem CID61296941
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminophenyl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2cccc(N)c2)c1C
InChIInChI=1S/C16H18N2O/c1-11-6-4-9-15(12(11)2)16(19)18(3)14-8-5-7-13(17)10-14/h4-10H,17H2,1-3H3
InChIKeyFCBQKNGUWIUTOK-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-(3-aminophenyl)-N,6-dimethylpyridine-2-carboxamide
CID 61297130
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815
N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 61297683
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 61297313
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N,2,3-trimethylbenzamide?
The IUPAC name of N-(3-aminophenyl)-N,2,3-trimethylbenzamide (CID 61296941) is N-(3-aminophenyl)-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-N,2,3-trimethylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)c2cccc(N)c2)c1C.
What is the InChIKey of N-(3-aminophenyl)-N,2,3-trimethylbenzamide?
The InChIKey is FCBQKNGUWIUTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-4-9-15(12(11)2)16(19)18(3)14-8-5-7-13(17)10-14/h4-10H,17H2,1-3H3.
What are the key properties of N-(3-aminophenyl)-N,2,3-trimethylbenzamide?
N-(3-aminophenyl)-N,2,3-trimethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N,2,3-trimethylbenzamide is sourced from PubChem (CID 61296941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).