(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide

C19H18ClN3O2 — CID 108821564

IUPAC(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1cc(Cl)c(C)cc1N/C=C(/C#N)C(=O)Nc1ccccc1C
InChIInChI=1S/C19H18ClN3O2/c1-12-6-4-5-7-16(12)23-19(24)14(10-21)11-22-17-8-13(2)15(20)9-18(17)25-3/h4-9,11,22H,1-3H3,(H,23,24)/b14-11-
InChIKeySMWVWXNSTQSPJX-KAMYIIQDSA-N
MW355.83 g/mol
LogP4.42
Rot. Bonds5

About (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide

(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide (PubChem CID 108821564) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
PubChem CID108821564
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1cc(Cl)c(C)cc1N/C=C(/C#N)C(=O)Nc1ccccc1C
InChIInChI=1S/C19H18ClN3O2/c1-12-6-4-5-7-16(12)23-19(24)14(10-21)11-22-17-8-13(2)15(20)9-18(17)25-3/h4-9,11,22H,1-3H3,(H,23,24)/b14-11-
InChIKeySMWVWXNSTQSPJX-KAMYIIQDSA-N
XLogP4.42
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.42
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

(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108858006
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860240
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858750
(Z)-N-(3-acetylphenyl)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyanoprop-2-enamide
CID 108856887
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enamide
CID 108824427
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820917
methyl 2-[[(Z)-3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enoyl]amino]benzoate
CID 108851472
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-methylanilino)prop-2-enamide
CID 108825385
(Z)-3-(3-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
CID 2095113
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108827621
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(2-methylanilino)prop-2-enamide
CID 108859233
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
CID 9353213

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide (CID 108821564) is (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide is COc1cc(Cl)c(C)cc1N/C=C(/C#N)C(=O)Nc1ccccc1C.
What is the InChIKey of (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is SMWVWXNSTQSPJX-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-6-4-5-7-16(12)23-19(24)14(10-21)11-22-17-8-13(2)15(20)9-18(17)25-3/h4-9,11,22H,1-3H3,(H,23,24)/b14-11-.
What are the key properties of (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide?
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 355.83 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108821564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).