2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

C14H17BrClNO2 — CID 103840263

IUPAC2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClNO2/c1-17(9-14(19)6-2-3-7-14)13(18)11-5-4-10(16)8-12(11)15/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyCDCVIFBPOSKUSS-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.48
Rot. Bonds3

About 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (PubChem CID 103840263) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
PubChem CID103840263
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClNO2/c1-17(9-14(19)6-2-3-7-14)13(18)11-5-4-10(16)8-12(11)15/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyCDCVIFBPOSKUSS-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
CID 107988089

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (CID 103840263) is 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is CN(CC1(O)CCCC1)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The InChIKey is CDCVIFBPOSKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-17(9-14(19)6-2-3-7-14)13(18)11-5-4-10(16)8-12(11)15/h4-5,8,19H,2-3,6-7,9H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103840263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).