(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

C18H14ClN3O3 — CID 1271189

IUPAC(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClN3O3/c1-25-16-7-5-12(6-8-16)9-13(11-20)17(23)22-18(24)21-15-4-2-3-14(19)10-15/h2-10H,1H3,(H2,21,22,23,24)/b13-9-
InChIKeyXFCLXSPPWAUTBD-LCYFTJDESA-N
MW355.78 g/mol
LogP3.60
Rot. Bonds4

About (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1271189) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID1271189
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClN3O3/c1-25-16-7-5-12(6-8-16)9-13(11-20)17(23)22-18(24)21-15-4-2-3-14(19)10-15/h2-10H,1H3,(H2,21,22,23,24)/b13-9-
InChIKeyXFCLXSPPWAUTBD-LCYFTJDESA-N
XLogP3.60
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
(Z)-3-(3-chloroanilino)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 108828471
2-cyano-3-(6-methoxynaphthalen-2-yl)-N-(3-methoxyphenyl)prop-2-enamide
CID 74272243
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-cyano-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 2866105
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 2130604
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(E)-N-carbamothioyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 15257743
(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126381407
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 18283096
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (CID 1271189) is (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/C#N)C(=O)NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is XFCLXSPPWAUTBD-LCYFTJDESA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-25-16-7-5-12(6-8-16)9-13(11-20)17(23)22-18(24)21-15-4-2-3-14(19)10-15/h2-10H,1H3,(H2,21,22,23,24)/b13-9-.
What are the key properties of (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 355.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-chlorophenyl)carbamoyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).