N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide

C16H17FN2O — CID 61376480

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyYWLPMPRRYYIICU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide (PubChem CID 61376480) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
PubChem CID61376480
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyYWLPMPRRYYIICU-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide (CID 61376480) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide is CNc1ccccc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The InChIKey is YWLPMPRRYYIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 61376480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).