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

C16H18FN3O — CID 115375795

IUPAC4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2F)cc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyIKSKIWPKUTXNTA-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.03
Rot. Bonds3

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

4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide (PubChem CID 115375795) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
PubChem CID115375795
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2F)cc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyIKSKIWPKUTXNTA-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

2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
CID 107794020
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376263
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 61102410
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide (CID 115375795) is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide is Cc1ccc(NC(=O)c2ccc(N)cc2F)cc1N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide?
The InChIKey is IKSKIWPKUTXNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide?
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-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 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 115375795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).