4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide

C14H16Br2ClNO — CID 113276202

IUPAC4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16Br2ClNO/c15-7-10-2-1-3-11(10)8-18-14(19)9-4-5-12(16)13(17)6-9/h4-6,10-11H,1-3,7-8H2,(H,18,19)
InChIKeyUAGGZWKQNJVJCN-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.64
Rot. Bonds4

About 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide

4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide (PubChem CID 113276202) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
PubChem CID113276202
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1CCCC1CBr)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16Br2ClNO/c15-7-10-2-1-3-11(10)8-18-14(19)9-4-5-12(16)13(17)6-9/h4-6,10-11H,1-3,7-8H2,(H,18,19)
InChIKeyUAGGZWKQNJVJCN-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide (CID 113276202) is 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide is O=C(NCC1CCCC1CBr)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
The InChIKey is UAGGZWKQNJVJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-7-10-2-1-3-11(10)8-18-14(19)9-4-5-12(16)13(17)6-9/h4-6,10-11H,1-3,7-8H2,(H,18,19).
What are the key properties of 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide?
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide has a molecular weight of 409.55 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide is sourced from PubChem (CID 113276202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).