(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide

C16H10ClF2N3O — CID 108860591

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(F)ccc1F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H10ClF2N3O/c17-11-2-1-3-13(6-11)22-16(23)10(8-20)9-21-15-7-12(18)4-5-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-
InChIKeySYYILWWJEHKKRN-KTKRTIGZSA-N
MW333.73 g/mol
LogP4.08
Rot. Bonds4

About (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide

(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide (PubChem CID 108860591) has the molecular formula C16H10ClF2N3O and a molecular weight of 333.73 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide
PubChem CID108860591
Molecular FormulaC16H10ClF2N3O
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(F)ccc1F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H10ClF2N3O/c17-11-2-1-3-13(6-11)22-16(23)10(8-20)9-21-15-7-12(18)4-5-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-
InChIKeySYYILWWJEHKKRN-KTKRTIGZSA-N
XLogP4.08
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 54.08
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-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-3-(3-chloro-4-fluoroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860528
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-hydroxyanilino)prop-2-enamide
CID 108860407
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-3-(2-bromoanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920712
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-dimethylanilino)prop-2-enamide
CID 46920697
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
CID 108860536
(Z)-3-(3-chloroanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 108858948
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 108853355
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816973
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858549

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide (CID 108860591) is (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide is N#C/C(=C/Nc1cc(F)ccc1F)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide?
The InChIKey is SYYILWWJEHKKRN-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H10ClF2N3O/c17-11-2-1-3-13(6-11)22-16(23)10(8-20)9-21-15-7-12(18)4-5-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide has a molecular weight of 333.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide is sourced from PubChem (CID 108860591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).