N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide

C16H23BrN2O — CID 64743584

IUPACN-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide
SMILESCCC1CCCC(NCC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,19,20)
InChIKeyXYOSRCAMHLGKLQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.95
Rot. Bonds5

About N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide

N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide (PubChem CID 64743584) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide
PubChem CID64743584
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide
SMILESCCC1CCCC(NCC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,19,20)
InChIKeyXYOSRCAMHLGKLQ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethylcyclohexyl)amino]-N-(3-methylphenyl)acetamide
CID 64742409
2-[(3-ethylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 64742801
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
CID 55188962
N-(2-bromophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63994904
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
N-(2-chlorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317886
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418229
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide (CID 64743584) is N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide is CCC1CCCC(NCC(=O)Nc2ccccc2Br)C1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The InChIKey is XYOSRCAMHLGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-12-6-5-7-13(10-12)18-11-16(20)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13,18H,2,5-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide has a molecular weight of 339.28 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-ethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 64743584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).