2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide

C16H18FN3O — CID 115375820

IUPAC2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)cc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-8-11(17)5-7-14(13)18/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyGLZANDXGYRBNIU-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide

2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide (PubChem CID 115375820) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
PubChem CID115375820
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)cc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-8-11(17)5-7-14(13)18/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyGLZANDXGYRBNIU-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.03
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

N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide (CID 115375820) is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide is Cc1ccc(NC(=O)c2cc(F)ccc2N)cc1N(C)C.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide?
The InChIKey is GLZANDXGYRBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-8-11(17)5-7-14(13)18/h4-9H,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide?
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide is sourced from PubChem (CID 115375820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).