2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide

C19H17BrN2O2 — CID 74513688

IUPAC2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
SMILESO=C(C=Cc1ccccc1Br)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H17BrN2O2/c20-16-7-3-1-5-13(16)9-12-18(23)22-17-8-4-2-6-15(17)19(24)21-14-10-11-14/h1-9,12,14H,10-11H2,(H,21,24)(H,22,23)
InChIKeyJAAYEIONYSCAAY-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.99
Rot. Bonds5

About 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide

2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide (PubChem CID 74513688) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
PubChem CID74513688
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
SMILESO=C(C=Cc1ccccc1Br)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H17BrN2O2/c20-16-7-3-1-5-13(16)9-12-18(23)22-17-8-4-2-6-15(17)19(24)21-14-10-11-14/h1-9,12,14H,10-11H2,(H,21,24)(H,22,23)
InChIKeyJAAYEIONYSCAAY-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 8700153
N-cyclopropyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]benzamide
CID 75616751
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26905641
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
N-cyclopropyl-2-[[(E)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enoyl]amino]benzamide
CID 55333089
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
CID 31303460

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide (CID 74513688) is 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide is O=C(C=Cc1ccccc1Br)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide?
The InChIKey is JAAYEIONYSCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c20-16-7-3-1-5-13(16)9-12-18(23)22-17-8-4-2-6-15(17)19(24)21-14-10-11-14/h1-9,12,14H,10-11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide?
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide has a molecular weight of 385.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 74513688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).