N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

C18H18ClNO3 — CID 5073679

IUPACN-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H18ClNO3/c1-3-23-16-10-8-13(12-17(16)22-2)9-11-18(21)20-15-7-5-4-6-14(15)19/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyMZUVUMMFEJLALV-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.40
Rot. Bonds6

About N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 5073679) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID5073679
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H18ClNO3/c1-3-23-16-10-8-13(12-17(16)22-2)9-11-18(21)20-15-7-5-4-6-14(15)19/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyMZUVUMMFEJLALV-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.40
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-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7791013
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (CID 5073679) is N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is MZUVUMMFEJLALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-23-16-10-8-13(12-17(16)22-2)9-11-18(21)20-15-7-5-4-6-14(15)19/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 331.80 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5073679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).