3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide

C12H14ClNO2 — CID 75268042

IUPAC3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1cc(Cl)ccc1OC
InChIInChI=1S/C12H14ClNO2/c1-3-14-12(15)7-4-9-8-10(13)5-6-11(9)16-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyBVPIDXODBWLUSO-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.50
Rot. Bonds4

About 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide

3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide (PubChem CID 75268042) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
PubChem CID75268042
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1cc(Cl)ccc1OC
InChIInChI=1S/C12H14ClNO2/c1-3-14-12(15)7-4-9-8-10(13)5-6-11(9)16-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyBVPIDXODBWLUSO-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(carbamoylamino)ethyl]-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 75534745
methyl 2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoate
CID 60531581
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
(E)-3-(5-chloro-2-methoxyphenyl)-N-[(4-cyanophenyl)methyl]prop-2-enamide
CID 60531459
3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
CID 55961666
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-3-(5-chloro-2-methoxyphenyl)-N-(4-methylsulfanylphenyl)prop-2-enamide
CID 52696409
(E)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 17171618
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 17296321
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
CID 56532422

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide (CID 75268042) is 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is BVPIDXODBWLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-3-14-12(15)7-4-9-8-10(13)5-6-11(9)16-2/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide?
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 239.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 75268042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).