2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide

C19H20ClFN2O — CID 46890972

IUPAC2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F
InChIInChI=1S/C19H20ClFN2O/c20-17-7-3-6-15(18(17)21)14-4-1-2-5-16(14)19(24)23-12-13-8-10-22-11-9-13/h1-7,13,22H,8-12H2,(H,23,24)
InChIKeyVGEONSNXIGLTNX-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide

2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890972) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890972
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F
InChIInChI=1S/C19H20ClFN2O/c20-17-7-3-6-15(18(17)21)14-4-1-2-5-16(14)19(24)23-12-13-8-10-22-11-9-13/h1-7,13,22H,8-12H2,(H,23,24)
InChIKeyVGEONSNXIGLTNX-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
Z944
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Jnj-63533054
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CID 306479
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide (CID 46890972) is 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is VGEONSNXIGLTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-17-7-3-6-15(18(17)21)14-4-1-2-5-16(14)19(24)23-12-13-8-10-22-11-9-13/h1-7,13,22H,8-12H2,(H,23,24).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 346.83 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).