2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide

C16H20ClFN2O — CID 106628756

IUPAC2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20ClFN2O/c17-13-4-1-5-14(18)15(13)16(21)20(12-6-7-12)10-11-3-2-8-19-9-11/h1,4-5,11-12,19H,2-3,6-10H2
InChIKeyNKWJDTHGBBHWHF-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide

2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628756) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628756
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20ClFN2O/c17-13-4-1-5-14(18)15(13)16(21)20(12-6-7-12)10-11-3-2-8-19-9-11/h1,4-5,11-12,19H,2-3,6-10H2
InChIKeyNKWJDTHGBBHWHF-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106628805
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide (CID 106628756) is 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide is O=C(c1c(F)cccc1Cl)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is NKWJDTHGBBHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-13-4-1-5-14(18)15(13)16(21)20(12-6-7-12)10-11-3-2-8-19-9-11/h1,4-5,11-12,19H,2-3,6-10H2.
What are the key properties of 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide?
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 310.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).