(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

C18H18ClNO3 — CID 26692900

IUPAC(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1
InChIInChI=1S/C18H18ClNO3/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3/h4-11H,1-3H3,(H,20,21)/b7-5+
InChIKeyIPSUGQDSNMQZSY-FNORWQNLSA-N
MW331.80 g/mol
LogP4.32
Rot. Bonds5

About (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 26692900) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID26692900
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1
InChIInChI=1S/C18H18ClNO3/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3/h4-11H,1-3H3,(H,20,21)/b7-5+
InChIKeyIPSUGQDSNMQZSY-FNORWQNLSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26705873
(E)-4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 710513
(E)-N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195740
(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 26688134
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
(2E,4E)-N-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 26692900) is (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1.
What is the InChIKey of (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is IPSUGQDSNMQZSY-FNORWQNLSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3/h4-11H,1-3H3,(H,20,21)/b7-5+.
What are the key properties of (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 331.80 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26692900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).