4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide

C14H16Br2ClNO — CID 113275490

IUPAC4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16Br2ClNO/c15-9-14(6-2-1-3-7-14)18-13(19)10-4-5-11(16)12(17)8-10/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyISFYEKBUSDPNPU-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.93
Rot. Bonds3

About 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide

4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide (PubChem CID 113275490) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
PubChem CID113275490
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16Br2ClNO/c15-9-14(6-2-1-3-7-14)18-13(19)10-4-5-11(16)12(17)8-10/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyISFYEKBUSDPNPU-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.93
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

N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
4-bromo-N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 114171064
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide (CID 113275490) is 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide is O=C(NC1(CBr)CCCCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide?
The InChIKey is ISFYEKBUSDPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-9-14(6-2-1-3-7-14)18-13(19)10-4-5-11(16)12(17)8-10/h4-5,8H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide?
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide has a molecular weight of 409.55 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide is sourced from PubChem (CID 113275490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).