4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide

C13H14BrFN2O2 — CID 96519279

IUPAC4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c14-9-5-4-7(6-10(9)15)13(19)17-11-3-1-2-8(11)12(16)18/h4-6,8,11H,1-3H2,(H2,16,18)(H,17,19)/t8-,11-/m1/s1
InChIKeyLKAWAFIOTDZBIM-LDYMZIIASA-N
MW329.17 g/mol
LogP1.97
Rot. Bonds3

About 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide

4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide (PubChem CID 96519279) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
PubChem CID96519279
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c14-9-5-4-7(6-10(9)15)13(19)17-11-3-1-2-8(11)12(16)18/h4-6,8,11H,1-3H2,(H2,16,18)(H,17,19)/t8-,11-/m1/s1
InChIKeyLKAWAFIOTDZBIM-LDYMZIIASA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
CID 124601145
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide (CID 96519279) is 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide is NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide?
The InChIKey is LKAWAFIOTDZBIM-LDYMZIIASA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-9-5-4-7(6-10(9)15)13(19)17-11-3-1-2-8(11)12(16)18/h4-6,8,11H,1-3H2,(H2,16,18)(H,17,19)/t8-,11-/m1/s1.
What are the key properties of 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide?
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide has a molecular weight of 329.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide is sourced from PubChem (CID 96519279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).