(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide

C16H10BrF2N3O — CID 108815992

IUPAC(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H10BrF2N3O/c17-11-1-4-13(5-2-11)22-16(23)10(8-20)9-21-15-6-3-12(18)7-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-
InChIKeyNPCKCQXXOFYGAT-KTKRTIGZSA-N
MW378.18 g/mol
LogP4.19
Rot. Bonds4

About (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide

(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide (PubChem CID 108815992) has the molecular formula C16H10BrF2N3O and a molecular weight of 378.18 g/mol. Its IUPAC name is (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide
PubChem CID108815992
Molecular FormulaC16H10BrF2N3O
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC Name(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H10BrF2N3O/c17-11-1-4-13(5-2-11)22-16(23)10(8-20)9-21-15-6-3-12(18)7-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-
InChIKeyNPCKCQXXOFYGAT-KTKRTIGZSA-N
XLogP4.19
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 54.19
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)-2-cyano-3-(2,4-difluoroanilino)-N-(4-fluorophenyl)prop-2-enamide
CID 108852059
(Z)-N-(4-bromophenyl)-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108815952
(E)-3-(2-bromo-4-fluoroanilino)-2-cyano-N-phenylprop-2-enamide
CID 46920660
(Z)-N-(4-bromophenyl)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-cyanoprop-2-enamide
CID 108815960
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843121
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108858027
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821585
(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide
CID 108815712
(Z)-3-(4-bromo-3-methylanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815980
(Z)-3-[(5-bromo-2-pyridinyl)amino]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108852096
2-[[(Z)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoyl]amino]propanoic acid
CID 108844982

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide (CID 108815992) is (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide?
The InChIKey is NPCKCQXXOFYGAT-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H10BrF2N3O/c17-11-1-4-13(5-2-11)22-16(23)10(8-20)9-21-15-6-3-12(18)7-14(15)19/h1-7,9,21H,(H,22,23)/b10-9-.
What are the key properties of (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide?
(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide has a molecular weight of 378.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide is sourced from PubChem (CID 108815992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).