N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C17H16ClNO3 — CID 881730

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-7-3-12(4-8-14)5-10-17(20)19-15-11-13(18)6-9-16(15)22-2/h3-11H,1-2H3,(H,19,20)
InChIKeyQUKGQTGJYKJDBU-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.01
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 881730) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID881730
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-7-3-12(4-8-14)5-10-17(20)19-15-11-13(18)6-9-16(15)22-2/h3-11H,1-2H3,(H,19,20)
InChIKeyQUKGQTGJYKJDBU-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.01
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-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
methyl 4-[(E)-3-(5-chloro-2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 40627752
(E)-N-(5-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 8763385
N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 4263710
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327874
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 881730) is N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is QUKGQTGJYKJDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-14-7-3-12(4-8-14)5-10-17(20)19-15-11-13(18)6-9-16(15)22-2/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 317.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 881730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).