3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide

C17H10Cl2F2N2O — CID 174363440

IUPAC3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O/c18-10-5-12(19)17-9(8-22-15(17)6-10)1-4-16(24)23-14-3-2-11(20)7-13(14)21/h1-8,22H,(H,23,24)
InChIKeyHZFGIBHALPDUTC-UHFFFAOYSA-N
MW367.18 g/mol
LogP5.40
Rot. Bonds3

About 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide

3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide (PubChem CID 174363440) has the molecular formula C17H10Cl2F2N2O and a molecular weight of 367.18 g/mol. Its IUPAC name is 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide
PubChem CID174363440
Molecular FormulaC17H10Cl2F2N2O
Molecular Weight367.18 g/mol
Exact Mass366.01
IUPAC Name3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O/c18-10-5-12(19)17-9(8-22-15(17)6-10)1-4-16(24)23-14-3-2-11(20)7-13(14)21/h1-8,22H,(H,23,24)
InChIKeyHZFGIBHALPDUTC-UHFFFAOYSA-N
XLogP5.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.18
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide;ethyl formate
CID 174363439
4,6-dichloro-3-[(E)-3-(2,4-difluoroanilino)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
CID 10669300
(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110426751
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide?
The IUPAC name of 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide (CID 174363440) is 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide is O=C(C=Cc1c[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide?
The InChIKey is HZFGIBHALPDUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2O/c18-10-5-12(19)17-9(8-22-15(17)6-10)1-4-16(24)23-14-3-2-11(20)7-13(14)21/h1-8,22H,(H,23,24).
What are the key properties of 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide?
3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide has a molecular weight of 367.18 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 174363440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).