2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide

C14H17BrClNO — CID 86901481

IUPAC2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)ccc2Br)CCCC1
InChIInChI=1S/C14H17BrClNO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyVYVUMIHKXSHWDM-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.41
Rot. Bonds3

About 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide

2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide (PubChem CID 86901481) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
PubChem CID86901481
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)ccc2Br)CCCC1
InChIInChI=1S/C14H17BrClNO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyVYVUMIHKXSHWDM-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide (CID 86901481) is 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide is CC1(CNC(=O)c2cc(Cl)ccc2Br)CCCC1.
What is the InChIKey of 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide?
The InChIKey is VYVUMIHKXSHWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(16)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide?
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide has a molecular weight of 330.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 86901481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).