2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide

C18H17BrN2O2 — CID 26706664

IUPAC2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23)(H,21,22)
InChIKeyGSJXEVOPVOZIGR-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.55
Rot. Bonds6

About 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide

2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 26706664) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID26706664
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23)(H,21,22)
InChIKeyGSJXEVOPVOZIGR-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.55
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

2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706648
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide (CID 26706664) is 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is GSJXEVOPVOZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(22)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 373.25 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 26706664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).