3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide

C19H21FN2O — CID 34455176

IUPAC3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O/c20-17-8-5-7-16(13-17)19(23)21-18-9-4-6-15(12-18)14-22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14H2,(H,21,23)
InChIKeyLNUZKMUYYZXCHH-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.06
Rot. Bonds4

About 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide

3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 34455176) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID34455176
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O/c20-17-8-5-7-16(13-17)19(23)21-18-9-4-6-15(12-18)14-22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14H2,(H,21,23)
InChIKeyLNUZKMUYYZXCHH-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
CID 50969575
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide (CID 34455176) is 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is LNUZKMUYYZXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-5-7-16(13-17)19(23)21-18-9-4-6-15(12-18)14-22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14H2,(H,21,23).
What are the key properties of 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide?
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 34455176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).