(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide

C24H17N3O — CID 2361503

IUPAC(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C24H17N3O/c25-16-18(24(26)28)15-21-20-13-7-8-14-22(20)27(19-11-5-2-6-12-19)23(21)17-9-3-1-4-10-17/h1-15H,(H2,26,28)/b18-15+
InChIKeyLMJBFLMATQPINJ-OBGWFSINSA-N
MW363.42 g/mol
LogP4.69
Rot. Bonds4

About (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide

(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide (PubChem CID 2361503) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide
PubChem CID2361503
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C24H17N3O/c25-16-18(24(26)28)15-21-20-13-7-8-14-22(20)27(19-11-5-2-6-12-19)23(21)17-9-3-1-4-10-17/h1-15H,(H2,26,28)/b18-15+
InChIKeyLMJBFLMATQPINJ-OBGWFSINSA-N
XLogP4.69
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
CID 161179292
(Z)-2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 874046
(Z)-2-cyano-3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]prop-2-enoic acid
CID 177404494
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
(E)-3-[4-chloro-2-(dimethylamino)quinolin-3-yl]-2-cyanoprop-2-enamide
CID 15687077
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide (CID 2361503) is (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide is N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide?
The InChIKey is LMJBFLMATQPINJ-OBGWFSINSA-N. The full InChI is InChI=1S/C24H17N3O/c25-16-18(24(26)28)15-21-20-13-7-8-14-22(20)27(19-11-5-2-6-12-19)23(21)17-9-3-1-4-10-17/h1-15H,(H2,26,28)/b18-15+.
What are the key properties of (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide?
(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide is sourced from PubChem (CID 2361503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).