N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

C16H9Cl3N2O2 — CID 1354799

IUPACN-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl3N2O2/c17-11-1-3-12(4-2-11)21-16(23)10(8-20)5-9-6-13(18)15(22)14(19)7-9/h1-7,22H,(H,21,23)
InChIKeyXKFVSPIDFSNBGP-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.90
Rot. Bonds3

About N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide (PubChem CID 1354799) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
PubChem CID1354799
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC NameN-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl3N2O2/c17-11-1-3-12(4-2-11)21-16(23)10(8-20)5-9-6-13(18)15(22)14(19)7-9/h1-7,22H,(H,21,23)
InChIKeyXKFVSPIDFSNBGP-UHFFFAOYSA-N
XLogP4.90
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.90
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

(E)-N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide
CID 1494373
(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1251627
(E)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 126063081
3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 3951523
(E)-2-cyano-3-[3,5-dichloro-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 126232644
2-[2-bromo-6-chloro-4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 1268946
N-(4-chlorophenyl)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
CID 2865625
(Z)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 7333310
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006
(E)-N-(4-chlorophenyl)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1271535
3-(4-chlorophenyl)-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide
CID 4147668
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide (CID 1354799) is N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is N#CC(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is XKFVSPIDFSNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-11-1-3-12(4-2-11)21-16(23)10(8-20)5-9-6-13(18)15(22)14(19)7-9/h1-7,22H,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 367.62 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 1354799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).