3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide

C17H23BrN2O3 — CID 55959627

IUPAC3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H23BrN2O3/c1-11-9-13(15(21)14(18)10-11)17(23)20-8-7-19-16(22)12-5-3-2-4-6-12/h9-10,12,21H,2-8H2,1H3,(H,19,22)(H,20,23)
InChIKeySWXVFEAPONUMTP-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.89
Rot. Bonds5

About 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide

3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide (PubChem CID 55959627) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide
PubChem CID55959627
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H23BrN2O3/c1-11-9-13(15(21)14(18)10-11)17(23)20-8-7-19-16(22)12-5-3-2-4-6-12/h9-10,12,21H,2-8H2,1H3,(H,19,22)(H,20,23)
InChIKeySWXVFEAPONUMTP-UHFFFAOYSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
3-bromo-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2-hydroxy-5-methylbenzamide
CID 55939763
N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
CID 108538987
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
2-bromo-N-[3-[2-(cyclohexanecarbonylamino)ethylamino]-3-oxopropyl]-5-fluorobenzamide
CID 55805759
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-[bis[2-[(2,3-dihydroxy-5-methylbenzoyl)amino]ethyl]amino]ethyl]-2,3-dihydroxy-5-methylbenzamide
CID 102443937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide (CID 55959627) is 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide is Cc1cc(Br)c(O)c(C(=O)NCCNC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is SWXVFEAPONUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-11-9-13(15(21)14(18)10-11)17(23)20-8-7-19-16(22)12-5-3-2-4-6-12/h9-10,12,21H,2-8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide?
3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 383.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 55959627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).