3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide

C20H22ClNO2 — CID 4949705

IUPAC3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
SMILESCC(C)CCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-15(2)13-14-24-18-10-8-17(9-11-18)22-20(23)12-7-16-5-3-4-6-19(16)21/h3-12,15H,13-14H2,1-2H3,(H,22,23)
InChIKeyMMGXSWDMISZDFL-UHFFFAOYSA-N
MW343.85 g/mol
LogP5.42
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide

3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide (PubChem CID 4949705) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
PubChem CID4949705
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
SMILESCC(C)CCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-15(2)13-14-24-18-10-8-17(9-11-18)22-20(23)12-7-16-5-3-4-6-19(16)21/h3-12,15H,13-14H2,1-2H3,(H,22,23)
InChIKeyMMGXSWDMISZDFL-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.85
LogP ≤ 55.42
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

3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6234645
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4949998
propan-2-yl 4-[3-(2-chlorophenyl)prop-2-enoylamino]benzoate
CID 5098902
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide
CID 2289651
N-butan-2-yl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17201182
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4691421

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide (CID 4949705) is 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide is CC(C)CCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide?
The InChIKey is MMGXSWDMISZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15(2)13-14-24-18-10-8-17(9-11-18)22-20(23)12-7-16-5-3-4-6-19(16)21/h3-12,15H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide?
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide has a molecular weight of 343.85 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 4949705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).