(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide

C19H17BrN2O2 — CID 30495352

IUPAC(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C/c3ccccc3Br)ccc21
InChIInChI=1S/C19H17BrN2O2/c1-13(23)22-11-10-15-12-16(7-8-18(15)22)21-19(24)9-6-14-4-2-3-5-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)/b9-6+
InChIKeyVKNXFHBGVNXODG-RMKNXTFCSA-N
MW385.26 g/mol
LogP4.01
Rot. Bonds3

About (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide

(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide (PubChem CID 30495352) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide
PubChem CID30495352
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C/c3ccccc3Br)ccc21
InChIInChI=1S/C19H17BrN2O2/c1-13(23)22-11-10-15-12-16(7-8-18(15)22)21-19(24)9-6-14-4-2-3-5-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)/b9-6+
InChIKeyVKNXFHBGVNXODG-RMKNXTFCSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 97428981
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296698
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 51482085
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide (CID 30495352) is (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide is CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccccc3Br)ccc21.
What is the InChIKey of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide?
The InChIKey is VKNXFHBGVNXODG-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-13(23)22-11-10-15-12-16(7-8-18(15)22)21-19(24)9-6-14-4-2-3-5-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)/b9-6+.
What are the key properties of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide?
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide has a molecular weight of 385.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide is sourced from PubChem (CID 30495352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).