N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide

C15H19BrN2O — CID 106174200

IUPACN-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
SMILESO=C(CNCCC1=CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c16-13-5-7-14(8-6-13)18-15(19)11-17-10-9-12-3-1-2-4-12/h3,5-8,17H,1-2,4,9-11H2,(H,18,19)
InChIKeyVPBXNERBXDGUKC-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.48
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide

N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide (PubChem CID 106174200) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
PubChem CID106174200
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
SMILESO=C(CNCCC1=CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c16-13-5-7-14(8-6-13)18-15(19)11-17-10-9-12-3-1-2-4-12/h3,5-8,17H,1-2,4,9-11H2,(H,18,19)
InChIKeyVPBXNERBXDGUKC-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815339
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109014944
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide (CID 106174200) is N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide is O=C(CNCCC1=CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide?
The InChIKey is VPBXNERBXDGUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-7-14(8-6-13)18-15(19)11-17-10-9-12-3-1-2-4-12/h3,5-8,17H,1-2,4,9-11H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide?
N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide has a molecular weight of 323.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide is sourced from PubChem (CID 106174200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).