2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H21BrN2O — CID 54816624

IUPAC2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1Br)NCCC1=CCCCC1
InChIInChI=1S/C16H21BrN2O/c17-14-8-4-5-9-15(14)19-12-16(20)18-11-10-13-6-2-1-3-7-13/h4-6,8-9,19H,1-3,7,10-12H2,(H,18,20)
InChIKeyBDEXFGIDEZWCBE-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.87
Rot. Bonds6

About 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 54816624) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID54816624
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1Br)NCCC1=CCCCC1
InChIInChI=1S/C16H21BrN2O/c17-14-8-4-5-9-15(14)19-12-16(20)18-11-10-13-6-2-1-3-7-13/h4-6,8-9,19H,1-3,7,10-12H2,(H,18,20)
InChIKeyBDEXFGIDEZWCBE-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014952
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132874
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014720
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
3-bromo-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 46652282
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 54816624) is 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CNc1ccccc1Br)NCCC1=CCCCC1.
What is the InChIKey of 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is BDEXFGIDEZWCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-14-8-4-5-9-15(14)19-12-16(20)18-11-10-13-6-2-1-3-7-13/h4-6,8-9,19H,1-3,7,10-12H2,(H,18,20).
What are the key properties of 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 337.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 54816624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).