N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide

C13H16BrNO — CID 103639120

IUPACN-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
SMILESCc1c(Br)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16BrNO/c1-9-11(14)7-4-8-12(9)15-13(16)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyWVKDIGTUJSBNHI-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.89
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide

N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide (PubChem CID 103639120) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
PubChem CID103639120
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
SMILESCc1c(Br)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16BrNO/c1-9-11(14)7-4-8-12(9)15-13(16)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyWVKDIGTUJSBNHI-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(3-bromo-2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107625159
2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103925937
5-[(3-bromo-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102732434
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
CID 169370677

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide (CID 103639120) is N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide is Cc1c(Br)cccc1NC(=O)C1CCCC1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide?
The InChIKey is WVKDIGTUJSBNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-11(14)7-4-8-12(9)15-13(16)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide?
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide has a molecular weight of 282.18 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 103639120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).