N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide

C15H14F2N2O — CID 63790510

IUPACN-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H14F2N2O/c1-18-13-5-2-10(3-6-13)15(20)19-9-11-8-12(16)4-7-14(11)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWWAFZRACVCZOPM-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.94
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide

N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide (PubChem CID 63790510) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
PubChem CID63790510
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H14F2N2O/c1-18-13-5-2-10(3-6-13)15(20)19-9-11-8-12(16)4-7-14(11)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWWAFZRACVCZOPM-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
CID 103222099
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide (CID 63790510) is N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide is CNc1ccc(C(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide?
The InChIKey is WWAFZRACVCZOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-18-13-5-2-10(3-6-13)15(20)19-9-11-8-12(16)4-7-14(11)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide?
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide is sourced from PubChem (CID 63790510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).