(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile

C9H6Cl2N2 — CID 102248601

IUPAC(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
SMILESN#C/C(Cl)=C/Nc1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12/h1-4,6,13H/b8-6-
InChIKeyTYAQPZJORLDGRL-VURMDHGXSA-N
MW213.07 g/mol
LogP3.36
Rot. Bonds2

About (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile

(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile (PubChem CID 102248601) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
PubChem CID102248601
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
SMILESN#C/C(Cl)=C/Nc1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12/h1-4,6,13H/b8-6-
InChIKeyTYAQPZJORLDGRL-VURMDHGXSA-N
XLogP3.36
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 780393
3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
CID 3263591
(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
4-[[(Z)-3-(4-chloroanilino)-2-cyanoprop-2-enoyl]amino]butanoic acid
CID 108845906
(E)-N-butanoyl-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 16740259
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108860844
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108839814
(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
CID 1473185
(Z)-3-(4-chloroanilino)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837382
(E)-1-(4-chloroanilino)-2,4,4-trimethylpent-1-en-3-one
CID 162454060
(E)-3-(4-chloroanilino)-2-(1H-indole-3-carbonyl)prop-2-enenitrile
CID 102382486
2-[(4-sulfanylanilino)methylidene]propanedinitrile
CID 168545577

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile?
The IUPAC name of (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile (CID 102248601) is (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile?
The canonical SMILES for (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile is N#C/C(Cl)=C/Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile?
The InChIKey is TYAQPZJORLDGRL-VURMDHGXSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12/h1-4,6,13H/b8-6-.
What are the key properties of (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile?
(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile has a molecular weight of 213.07 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile is sourced from PubChem (CID 102248601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).