(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide

C16H11BrClN3O — CID 108815712

IUPAC(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O/c17-12-5-7-13(8-6-12)21-16(22)11(9-19)10-20-15-4-2-1-3-14(15)18/h1-8,10,20H,(H,21,22)/b11-10-
InChIKeyGXQJFZIMHGUVNP-KHPPLWFESA-N
MW376.64 g/mol
LogP4.56
Rot. Bonds4

About (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide

(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide (PubChem CID 108815712) has the molecular formula C16H11BrClN3O and a molecular weight of 376.64 g/mol. Its IUPAC name is (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide
PubChem CID108815712
Molecular FormulaC16H11BrClN3O
Molecular Weight376.64 g/mol
Exact Mass374.98
IUPAC Name(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O/c17-12-5-7-13(8-6-12)21-16(22)11(9-19)10-20-15-4-2-1-3-14(15)18/h1-8,10,20H,(H,21,22)/b11-10-
InChIKeyGXQJFZIMHGUVNP-KHPPLWFESA-N
XLogP4.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.56
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-(2-chloroanilino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108852885
(Z)-N-(4-bromophenyl)-2-cyano-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108815713
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
methyl 2-[[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
CID 108815785
(Z)-N-(4-acetamidophenyl)-3-(2-bromoanilino)-2-cyanoprop-2-enamide
CID 108818839
(Z)-N-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enamide
CID 108815962
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108824566
(Z)-3-(2-chloroanilino)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826138
3-[[(Z)-3-(2-chloroanilino)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819428
(Z)-N-(4-bromophenyl)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-cyanoprop-2-enamide
CID 108815960
(Z)-N-(4-bromophenyl)-2-cyano-3-(2,4-difluoroanilino)prop-2-enamide
CID 108815992

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide (CID 108815712) is (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide is N#C/C(=C/Nc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide?
The InChIKey is GXQJFZIMHGUVNP-KHPPLWFESA-N. The full InChI is InChI=1S/C16H11BrClN3O/c17-12-5-7-13(8-6-12)21-16(22)11(9-19)10-20-15-4-2-1-3-14(15)18/h1-8,10,20H,(H,21,22)/b11-10-.
What are the key properties of (Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide?
(Z)-N-(4-bromophenyl)-3-(2-chloroanilino)-2-cyanoprop-2-enamide has a molecular weight of 376.64 g/mol, XLogP of 4.56, 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)-3-(2-chloroanilino)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108815712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).