5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

C16H23BrN2O2 — CID 65117743

IUPAC5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(N)ccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-9-12(18)3-4-14(13)17/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20)
InChIKeyMAMMDNALJXSRQG-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 65117743) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
PubChem CID65117743
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(N)ccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-9-12(18)3-4-14(13)17/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20)
InChIKeyMAMMDNALJXSRQG-UHFFFAOYSA-N
XLogP3.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
3-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 107952528
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
1-[[(5-amino-2-bromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445974

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (CID 65117743) is 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is CCC1CCC(O)(CNC(=O)c2cc(N)ccc2Br)CC1.
What is the InChIKey of 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is MAMMDNALJXSRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)13-9-12(18)3-4-14(13)17/h3-4,9,11,21H,2,5-8,10,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 355.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 65117743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).