(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide

C14H18ClNO2 — CID 24805939

IUPAC(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(Cl)=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18ClNO2/c1-4-16(5-2)14(17)13(15)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3/b13-10-
InChIKeyALWODPUFYHPHNM-RAXLEYEMSA-N
MW267.76 g/mol
LogP3.14
Rot. Bonds5

About (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide

(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 24805939) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID24805939
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(Cl)=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18ClNO2/c1-4-16(5-2)14(17)13(15)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3/b13-10-
InChIKeyALWODPUFYHPHNM-RAXLEYEMSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide (CID 24805939) is (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide is CCN(CC)C(=O)/C(Cl)=C/c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is ALWODPUFYHPHNM-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-4-16(5-2)14(17)13(15)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3/b13-10-.
What are the key properties of (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 267.76 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 24805939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).