N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide

C24H17Cl2N3O2 — CID 19058549

IUPACN-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C24H17Cl2N3O2/c25-18-8-6-17(20(26)13-18)12-22(29-23(30)16-4-2-1-3-5-16)24(31)28-19-9-7-15-10-11-27-21(15)14-19/h1-14,27H,(H,28,31)(H,29,30)/b22-12+
InChIKeyNIHGPVJRGBIONX-WSDLNYQXSA-N
MW450.33 g/mol
LogP5.88
Rot. Bonds5

About N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 19058549) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID19058549
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C24H17Cl2N3O2/c25-18-8-6-17(20(26)13-18)12-22(29-23(30)16-4-2-1-3-5-16)24(31)28-19-9-7-15-10-11-27-21(15)14-19/h1-14,27H,(H,28,31)(H,29,30)/b22-12+
InChIKeyNIHGPVJRGBIONX-WSDLNYQXSA-N
XLogP5.88
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide 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

N-[(E)-1-(2-ethoxyphenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 19058559
N-[(E)-1-(2-bromo-4,5-dimethoxyphenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 19058827
5-[[2-[4-[[(Z)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]-2-chlorobenzoic acid
CID 21385090
N-[(Z)-3-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 21385040
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
N-[(Z)-3-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]anilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787082
N-[(E)-1-(2,3-dichlorophenyl)-3-[3-[1-(1H-indol-6-ylamino)-1-oxobutan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19319359
N-[(Z)-1-(2,4-dichlorophenyl)-3-[4-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21385080
N-[(E)-3-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19306836
N-[(Z)-1-(2,4-dichlorophenyl)-3-oxo-3-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19713809
ethyl 2-[4-[[(Z)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]sulfanylacetate
CID 22783882
N-[(Z)-1-(2,4-dichlorophenyl)-3-oxo-3-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 21385038

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 19058549) is N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide is O=C(Nc1ccc2cc[nH]c2c1)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is NIHGPVJRGBIONX-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-18-8-6-17(20(26)13-18)12-22(29-23(30)16-4-2-1-3-5-16)24(31)28-19-9-7-15-10-11-27-21(15)14-19/h1-14,27H,(H,28,31)(H,29,30)/b22-12+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 450.33 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 19058549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).