(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide

C10H8ClN3O — CID 780393

IUPAC(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C10H8ClN3O/c11-8-1-3-9(4-2-8)14-6-7(5-12)10(13)15/h1-4,6,14H,(H2,13,15)/b7-6+
InChIKeyUEKADOARNBUWOT-VOTSOKGWSA-N
MW221.65 g/mol
LogP1.64
Rot. Bonds3

About (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide

(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide (PubChem CID 780393) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
PubChem CID780393
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\Nc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C10H8ClN3O/c11-8-1-3-9(4-2-8)14-6-7(5-12)10(13)15/h1-4,6,14H,(H2,13,15)/b7-6+
InChIKeyUEKADOARNBUWOT-VOTSOKGWSA-N
XLogP1.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.64
H-Bond Donors ≤ 52
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

(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
(E)-N-butanoyl-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 16740259
(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
CID 102248601
4-[[(Z)-3-(4-chloroanilino)-2-cyanoprop-2-enoyl]amino]butanoic acid
CID 108845906
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108860844
(E)-3-(4-chloroanilino)-2-(1H-indole-3-carbonyl)prop-2-enenitrile
CID 102382486
(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 70560556
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
(Z)-3-(4-chloroanilino)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108854848
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108839814
(Z)-3-(4-chloroanilino)-2-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]prop-2-enenitrile
CID 22302900
3-[[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108860648

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The IUPAC name of (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide (CID 780393) is (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide is N#C/C(=C\Nc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The InChIKey is UEKADOARNBUWOT-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-1-3-9(4-2-8)14-6-7(5-12)10(13)15/h1-4,6,14H,(H2,13,15)/b7-6+.
What are the key properties of (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide has a molecular weight of 221.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide is sourced from PubChem (CID 780393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).