N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide

C16H17FN2O — CID 63210456

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)18-2)16(20)19-10-12-3-6-14(17)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyPEMFEEUDUHFWOQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.11
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide

N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide (PubChem CID 63210456) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
PubChem CID63210456
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)18-2)16(20)19-10-12-3-6-14(17)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyPEMFEEUDUHFWOQ-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(methylamino)-3-nitrobenzamide
CID 7406793
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide (CID 63210456) is N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)NCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide?
The InChIKey is PEMFEEUDUHFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)18-2)16(20)19-10-12-3-6-14(17)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide?
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63210456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).