N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide

C16H23BrN2O — CID 60920962

IUPACN-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
SMILESO=C(CNCCC1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c17-14-7-4-8-15(11-14)19-16(20)12-18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,18H,1-3,5-6,9-10,12H2,(H,19,20)
InChIKeyRTEKDYDZCBPUGR-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.95
Rot. Bonds6

About N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide

N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide (PubChem CID 60920962) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
PubChem CID60920962
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
SMILESO=C(CNCCC1CCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c17-14-7-4-8-15(11-14)19-16(20)12-18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,18H,1-3,5-6,9-10,12H2,(H,19,20)
InChIKeyRTEKDYDZCBPUGR-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038558

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide (CID 60920962) is N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide is O=C(CNCCC1CCCCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The InChIKey is RTEKDYDZCBPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-14-7-4-8-15(11-14)19-16(20)12-18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,18H,1-3,5-6,9-10,12H2,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide has a molecular weight of 339.28 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide is sourced from PubChem (CID 60920962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).