N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide

C17H23BrN2O2 — CID 113062722

IUPACN-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O2/c1-13(21)20(16-10-6-5-9-15(16)18)12-11-19-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyFPLHGKGPGRBSOE-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide

N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113062722) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
PubChem CID113062722
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O2/c1-13(21)20(16-10-6-5-9-15(16)18)12-11-19-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyFPLHGKGPGRBSOE-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide
CID 113060920
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide (CID 113062722) is N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide is CC(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Br.
What is the InChIKey of N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is FPLHGKGPGRBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-13(21)20(16-10-6-5-9-15(16)18)12-11-19-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide?
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113062722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).