3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide

C13H15ClFNO — CID 114550116

IUPAC3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C13H15ClFNO/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyYJTIKIHXRYOUHY-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.40
Rot. Bonds2

About 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide

3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide (PubChem CID 114550116) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
PubChem CID114550116
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C13H15ClFNO/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyYJTIKIHXRYOUHY-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide (CID 114550116) is 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2cccc(Cl)c2F)C1.
What is the InChIKey of 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide?
The InChIKey is YJTIKIHXRYOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide?
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide has a molecular weight of 255.72 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114550116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).