3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide

C14H15BrN2O2 — CID 75512525

IUPAC3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
SMILESC#CCNC(=O)CNC(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-9-16-14(19)10-17-13(18)8-5-11-3-6-12(15)7-4-11/h1,3-4,6-7H,5,8-10H2,(H,16,19)(H,17,18)
InChIKeyFLUVXPYTNFEHCG-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.25
Rot. Bonds6

About 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide

3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide (PubChem CID 75512525) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
PubChem CID75512525
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
SMILESC#CCNC(=O)CNC(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-9-16-14(19)10-17-13(18)8-5-11-3-6-12(15)7-4-11/h1,3-4,6-7H,5,8-10H2,(H,16,19)(H,17,18)
InChIKeyFLUVXPYTNFEHCG-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)acetate
CID 9342541
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
4-phenyl-N-prop-2-ynylbutanamide
CID 60769101
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
3-(4-bromo-2-fluorophenyl)-N-[3-oxo-3-(prop-2-ynylamino)propyl]propanamide
CID 49206881
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
CID 49396489
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
tert-butyl N-[2-[4-[[3-(4-bromophenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917800
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide (CID 75512525) is 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide is C#CCNC(=O)CNC(=O)CCc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The InChIKey is FLUVXPYTNFEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-9-16-14(19)10-17-13(18)8-5-11-3-6-12(15)7-4-11/h1,3-4,6-7H,5,8-10H2,(H,16,19)(H,17,18).
What are the key properties of 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide has a molecular weight of 323.19 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide is sourced from PubChem (CID 75512525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).