2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

C23H24ClN3O2 — CID 46262104

IUPAC2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C23H24ClN3O2/c1-4-27-14-16(17-9-6-8-12-21(17)27)13-20(23(29)25-15(2)3)26-22(28)18-10-5-7-11-19(18)24/h5-15H,4H2,1-3H3,(H,25,29)(H,26,28)/b20-13-
InChIKeyRVXCAVGOZCKIAX-MOSHPQCFSA-N
MW409.92 g/mol
LogP4.61
Rot. Bonds6

About 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 46262104) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID46262104
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C23H24ClN3O2/c1-4-27-14-16(17-9-6-8-12-21(17)27)13-20(23(29)25-15(2)3)26-22(28)18-10-5-7-11-19(18)24/h5-15H,4H2,1-3H3,(H,25,29)(H,26,28)/b20-13-
InChIKeyRVXCAVGOZCKIAX-MOSHPQCFSA-N
XLogP4.61
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262183
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262137
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 46262083
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 46262037
N-[(Z)-3-(benzylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262121
N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262150
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 24791584
N-[3-[2-(diethylamino)ethylamino]-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3562693
3,4-dichloro-N-[1-[2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3429939
N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 46262191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (CID 46262104) is 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NC(C)C)c2ccccc21.
What is the InChIKey of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is RVXCAVGOZCKIAX-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-4-27-14-16(17-9-6-8-12-21(17)27)13-20(23(29)25-15(2)3)26-22(28)18-10-5-7-11-19(18)24/h5-15H,4H2,1-3H3,(H,25,29)(H,26,28)/b20-13-.
What are the key properties of 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 409.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 46262104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).