2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C15H19ClF2N2O — CID 17173512

IUPAC2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClF2N2O/c1-9(2)20-5-3-10(4-6-20)19-15(21)11-7-13(17)14(18)8-12(11)16/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyCOXXBNQAAMQBNW-UHFFFAOYSA-N
MW316.78 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 17173512) has the molecular formula C15H19ClF2N2O and a molecular weight of 316.78 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID17173512
Molecular FormulaC15H19ClF2N2O
Molecular Weight316.78 g/mol
Exact Mass316.12
IUPAC Name2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClF2N2O/c1-9(2)20-5-3-10(4-6-20)19-15(21)11-7-13(17)14(18)8-12(11)16/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyCOXXBNQAAMQBNW-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
CID 155556170
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
4-chloro-2-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65371146
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 17173512) is 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is COXXBNQAAMQBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O/c1-9(2)20-5-3-10(4-6-20)19-15(21)11-7-13(17)14(18)8-12(11)16/h7-10H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 316.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 17173512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).