3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide

C16H17FN2O — CID 43574101

IUPAC3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C16H17FN2O/c1-11-3-6-13(9-15(11)18)16(20)19(2)10-12-4-7-14(17)8-5-12/h3-9H,10,18H2,1-2H3
InChIKeyUKKQFZMXHMFUKK-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide

3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 43574101) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
PubChem CID43574101
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C16H17FN2O/c1-11-3-6-13(9-15(11)18)16(20)19(2)10-12-4-7-14(17)8-5-12/h3-9H,10,18H2,1-2H3
InChIKeyUKKQFZMXHMFUKK-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.99
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

4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide (CID 43574101) is 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1N.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is UKKQFZMXHMFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-3-6-13(9-15(11)18)16(20)19(2)10-12-4-7-14(17)8-5-12/h3-9H,10,18H2,1-2H3.
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 43574101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).