N-[1-(3-bromophenyl)ethyl]pent-4-enamide

C13H16BrNO — CID 62678897

IUPACN-[1-(3-bromophenyl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H16BrNO/c1-3-4-8-13(16)15-10(2)11-6-5-7-12(14)9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16)
InChIKeyGBIYUBGHZCDZRZ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]pent-4-enamide

N-[1-(3-bromophenyl)ethyl]pent-4-enamide (PubChem CID 62678897) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]pent-4-enamide
PubChem CID62678897
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H16BrNO/c1-3-4-8-13(16)15-10(2)11-6-5-7-12(14)9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16)
InChIKeyGBIYUBGHZCDZRZ-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(3-bromophenyl)ethyl]hept-6-ynamide
CID 113349514
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 55575144
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]pent-4-enamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]pent-4-enamide (CID 62678897) is N-[1-(3-bromophenyl)ethyl]pent-4-enamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]pent-4-enamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]pent-4-enamide is C=CCCC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]pent-4-enamide?
The InChIKey is GBIYUBGHZCDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-3-4-8-13(16)15-10(2)11-6-5-7-12(14)9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16).
What are the key properties of N-[1-(3-bromophenyl)ethyl]pent-4-enamide?
N-[1-(3-bromophenyl)ethyl]pent-4-enamide has a molecular weight of 282.18 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]pent-4-enamide is sourced from PubChem (CID 62678897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).