2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide

C15H20ClFN2O — CID 106629488

IUPAC2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(17)14(12)16/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyPCPYCCBONPVWBI-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide

2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106629488) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106629488
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(17)14(12)16/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyPCPYCCBONPVWBI-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide (CID 106629488) is 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide is CCN(CC1CCCNC1)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is PCPYCCBONPVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(17)14(12)16/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide?
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 298.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).