2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H17BrClNO2 — CID 114027684

IUPAC2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1CCCC1CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-13-5-4-11(16)6-12(13)14(19)17-7-9-2-1-3-10(9)8-18/h4-6,9-10,18H,1-3,7-8H2,(H,17,19)
InChIKeyOSAFVOSBRAPNHZ-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide

2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 114027684) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID114027684
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1CCCC1CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-13-5-4-11(16)6-12(13)14(19)17-7-9-2-1-3-10(9)8-18/h4-6,9-10,18H,1-3,7-8H2,(H,17,19)
InChIKeyOSAFVOSBRAPNHZ-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 107729903
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 114027684) is 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide is O=C(NCC1CCCC1CO)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is OSAFVOSBRAPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-13-5-4-11(16)6-12(13)14(19)17-7-9-2-1-3-10(9)8-18/h4-6,9-10,18H,1-3,7-8H2,(H,17,19).
What are the key properties of 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide?
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 114027684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).