N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide

C15H19BrClNO2 — CID 103969636

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H19BrClNO2/c16-9-15(6-2-1-3-7-15)10-18-14(20)11-4-5-13(19)12(17)8-11/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyQPHZUFSFUBLZSU-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.12
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide (PubChem CID 103969636) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
PubChem CID103969636
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H19BrClNO2/c16-9-15(6-2-1-3-7-15)10-18-14(20)11-4-5-13(19)12(17)8-11/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyQPHZUFSFUBLZSU-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chloro-4-methylbenzamide
CID 115456438
1-[[(3-chloro-4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445158
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide (CID 103969636) is N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide is O=C(NCC1(CBr)CCCCC1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is QPHZUFSFUBLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c16-9-15(6-2-1-3-7-15)10-18-14(20)11-4-5-13(19)12(17)8-11/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 360.68 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 103969636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).