3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide

C13H15BrClNO — CID 107989487

IUPAC3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C13H15BrClNO/c1-8-2-4-10(6-8)16-13(17)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17)
InChIKeyBHZZCMDDEGHXJK-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.02
Rot. Bonds2

About 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide

3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide (PubChem CID 107989487) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
PubChem CID107989487
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C13H15BrClNO/c1-8-2-4-10(6-8)16-13(17)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17)
InChIKeyBHZZCMDDEGHXJK-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
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CID 107999241
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550639
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
1-methyl-N-(3-methylcyclopentyl)-2-oxopyridine-4-carboxamide
CID 114549550
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide (CID 107989487) is 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide?
The InChIKey is BHZZCMDDEGHXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-8-2-4-10(6-8)16-13(17)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide?
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide has a molecular weight of 316.63 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 107989487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).