(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

C19H16Cl2N2O2 — CID 97428981

IUPAC(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C19H16Cl2N2O2/c1-12(24)23-9-8-14-11-15(4-6-18(14)23)22-19(25)7-3-13-2-5-16(20)17(21)10-13/h2-7,10-11H,8-9H2,1H3,(H,22,25)/b7-3-
InChIKeyKYAYTLITZUFDJS-CLTKARDFSA-N
MW375.26 g/mol
LogP4.55
Rot. Bonds3

About (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 97428981) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID97428981
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C19H16Cl2N2O2/c1-12(24)23-9-8-14-11-15(4-6-18(14)23)22-19(25)7-3-13-2-5-16(20)17(21)10-13/h2-7,10-11H,8-9H2,1H3,(H,22,25)/b7-3-
InChIKeyKYAYTLITZUFDJS-CLTKARDFSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(2-bromophenyl)prop-2-enamide
CID 30495352
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 51482085
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-chlorophenyl)thiourea
CID 2727568
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 97428981) is (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is CC(=O)N1CCc2cc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is KYAYTLITZUFDJS-CLTKARDFSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12(24)23-9-8-14-11-15(4-6-18(14)23)22-19(25)7-3-13-2-5-16(20)17(21)10-13/h2-7,10-11H,8-9H2,1H3,(H,22,25)/b7-3-.
What are the key properties of (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 375.26 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 97428981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).