(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

C19H16ClN3O — CID 168865094

IUPAC(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2[nH]ncc2cc1Cl)NC1CCc2ccccc21
InChIInChI=1S/C19H16ClN3O/c20-16-9-14-11-21-23-18(14)10-13(16)6-8-19(24)22-17-7-5-12-3-1-2-4-15(12)17/h1-4,6,8-11,17H,5,7H2,(H,21,23)(H,22,24)/b8-6+
InChIKeyPXCYOVPBUHXGBU-SOFGYWHQSA-N
MW337.81 g/mol
LogP4.03
Rot. Bonds3

About (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (PubChem CID 168865094) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
PubChem CID168865094
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2[nH]ncc2cc1Cl)NC1CCc2ccccc21
InChIInChI=1S/C19H16ClN3O/c20-16-9-14-11-21-23-18(14)10-13(16)6-8-19(24)22-17-7-5-12-3-1-2-4-15(12)17/h1-4,6,8-11,17H,5,7H2,(H,21,23)(H,22,24)/b8-6+
InChIKeyPXCYOVPBUHXGBU-SOFGYWHQSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
CID 175884330
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 45153833
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
4,6-dichloro-3-[(E)-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)prop-1-enyl]-1H-indole-2-carboxylic acid
CID 10813473
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 8893313
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51334157
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
CID 59170828
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 58223153

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (CID 168865094) is (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is O=C(/C=C/c1cc2[nH]ncc2cc1Cl)NC1CCc2ccccc21.
What is the InChIKey of (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The InChIKey is PXCYOVPBUHXGBU-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-9-14-11-21-23-18(14)10-13(16)6-8-19(24)22-17-7-5-12-3-1-2-4-15(12)17/h1-4,6,8-11,17H,5,7H2,(H,21,23)(H,22,24)/b8-6+.
What are the key properties of (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is sourced from PubChem (CID 168865094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).