N-(3-amino-2-methylphenyl)-4-ethylbenzamide

C16H18N2O — CID 18072928

IUPACN-(3-amino-2-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(N)c2C)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyDRXRCSDHLAKUFL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-4-ethylbenzamide

N-(3-amino-2-methylphenyl)-4-ethylbenzamide (PubChem CID 18072928) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-ethylbenzamide
PubChem CID18072928
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(3-amino-2-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(N)c2C)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyDRXRCSDHLAKUFL-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.39
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-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
(3-amino-2-methylphenyl)urea
CID 16770559

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-ethylbenzamide (CID 18072928) is N-(3-amino-2-methylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(N)c2C)cc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-ethylbenzamide?
The InChIKey is DRXRCSDHLAKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)16(19)18-15-6-4-5-14(17)11(15)2/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-4-ethylbenzamide?
N-(3-amino-2-methylphenyl)-4-ethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 18072928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).