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

C16H10BrClN2O — CID 1251627

IUPAC(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2O/c17-13-3-1-11(2-4-13)9-12(10-19)16(21)20-15-7-5-14(18)6-8-15/h1-9H,(H,20,21)/b12-9-
InChIKeyOFYSIGMAJVQWCI-XFXZXTDPSA-N
MW361.63 g/mol
LogP4.65
Rot. Bonds3

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

(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide (PubChem CID 1251627) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
PubChem CID1251627
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2O/c17-13-3-1-11(2-4-13)9-12(10-19)16(21)20-15-7-5-14(18)6-8-15/h1-9H,(H,20,21)/b12-9-
InChIKeyOFYSIGMAJVQWCI-XFXZXTDPSA-N
XLogP4.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-(4-bromophenyl)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyanoprop-2-enamide
CID 126109410
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 6026563
(E)-N-(3-bromophenyl)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1366410
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006
3-(4-chlorophenyl)-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide
CID 4147668
methyl 4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoate
CID 1268757
3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 3951523
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
CID 1354799
3-(3-bromo-4-methoxyphenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 5240634
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(E)-3-(4-chlorophenyl)-2-cyano-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 1185360

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide (CID 1251627) is (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide?
The InChIKey is OFYSIGMAJVQWCI-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-13-3-1-11(2-4-13)9-12(10-19)16(21)20-15-7-5-14(18)6-8-15/h1-9H,(H,20,21)/b12-9-.
What are the key properties of (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide?
(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide has a molecular weight of 361.63 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 1251627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).