N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide

C16H17FN2O — CID 60670598

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-18-15-6-4-3-5-14(15)16(20)19(2)11-12-7-9-13(17)10-8-12/h3-10,18H,11H2,1-2H3
InChIKeyOQTRIBNMLNPZOY-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide (PubChem CID 60670598) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
PubChem CID60670598
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-18-15-6-4-3-5-14(15)16(20)19(2)11-12-7-9-13(17)10-8-12/h3-10,18H,11H2,1-2H3
InChIKeyOQTRIBNMLNPZOY-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)benzamide
CID 61376480
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
CID 17192300
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide (CID 60670598) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide is CNc1ccccc1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The InChIKey is OQTRIBNMLNPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-18-15-6-4-3-5-14(15)16(20)19(2)11-12-7-9-13(17)10-8-12/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
N-[(4-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-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 60670598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).