4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

C14H16BrCl2NO — CID 113294779

IUPAC4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrCl2NO/c15-11-4-3-10(7-12(11)17)13(19)18-9-14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyFXDAQISDCWCPBZ-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.63
Rot. Bonds4

About 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (PubChem CID 113294779) has the molecular formula C14H16BrCl2NO and a molecular weight of 365.10 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
PubChem CID113294779
Molecular FormulaC14H16BrCl2NO
Molecular Weight365.10 g/mol
Exact Mass362.98
IUPAC Name4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrCl2NO/c15-11-4-3-10(7-12(11)17)13(19)18-9-14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyFXDAQISDCWCPBZ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.63
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

3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
4-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115455941
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115363867
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (CID 113294779) is 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is O=C(NCC1(CCl)CCCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The InChIKey is FXDAQISDCWCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2NO/c15-11-4-3-10(7-12(11)17)13(19)18-9-14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide has a molecular weight of 365.10 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 113294779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).