N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide

C16H14F2N2O — CID 47017136

IUPACN-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1cc(F)cc(F)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H14F2N2O/c17-13-7-12(8-14(18)9-13)16(21)20(15-1-2-15)10-11-3-5-19-6-4-11/h3-9,15H,1-2,10H2
InChIKeySHZCBJPCXZMZDL-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.16
Rot. Bonds4

About N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide

N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 47017136) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID47017136
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1cc(F)cc(F)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H14F2N2O/c17-13-7-12(8-14(18)9-13)16(21)20(15-1-2-15)10-11-3-5-19-6-4-11/h3-9,15H,1-2,10H2
InChIKeySHZCBJPCXZMZDL-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 86919919
4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 52547897
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
N-(2-bromoethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 80677748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide (CID 47017136) is N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide is O=C(c1cc(F)cc(F)c1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is SHZCBJPCXZMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-7-12(8-14(18)9-13)16(21)20(15-1-2-15)10-11-3-5-19-6-4-11/h3-9,15H,1-2,10H2.
What are the key properties of N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide?
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 288.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 47017136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).