4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide

C16H18FN3O — CID 107794020

IUPAC4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(N)cc2F)cc1
InChIInChI=1S/C16H18FN3O/c1-20(2)10-11-3-6-13(7-4-11)19-16(21)14-8-5-12(18)9-15(14)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyLZTIARSDUFMMNH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.72
Rot. Bonds4

About 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide

4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide (PubChem CID 107794020) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
PubChem CID107794020
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(N)cc2F)cc1
InChIInChI=1S/C16H18FN3O/c1-20(2)10-11-3-6-13(7-4-11)19-16(21)14-8-5-12(18)9-15(14)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyLZTIARSDUFMMNH-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.72
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

4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 106993306
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide (CID 107794020) is 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide is CN(C)Cc1ccc(NC(=O)c2ccc(N)cc2F)cc1.
What is the InChIKey of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide?
The InChIKey is LZTIARSDUFMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(2)10-11-3-6-13(7-4-11)19-16(21)14-8-5-12(18)9-15(14)17/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide?
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 107794020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).