N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide

C15H19BrClNO — CID 114317422

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1ccccc1Cl
InChIInChI=1S/C15H19BrClNO/c16-9-11-5-1-2-6-12(11)10-18-15(19)13-7-3-4-8-14(13)17/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,19)
InChIKeyADGWZNKXMQBDQR-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.27
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide (PubChem CID 114317422) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
PubChem CID114317422
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
SMILESO=C(NCC1CCCCC1CBr)c1ccccc1Cl
InChIInChI=1S/C15H19BrClNO/c16-9-11-5-1-2-6-12(11)10-18-15(19)13-7-3-4-8-14(13)17/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,19)
InChIKeyADGWZNKXMQBDQR-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.27
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-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide (CID 114317422) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide is O=C(NCC1CCCCC1CBr)c1ccccc1Cl.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide?
The InChIKey is ADGWZNKXMQBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c16-9-11-5-1-2-6-12(11)10-18-15(19)13-7-3-4-8-14(13)17/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,19).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide has a molecular weight of 344.68 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide is sourced from PubChem (CID 114317422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).