N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

C20H21Cl2NO2 — CID 4676710

IUPACN-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-4-13(2)14-5-8-17(9-6-14)23-19(24)10-7-15-11-16(21)12-18(22)20(15)25-3/h5-13H,4H2,1-3H3,(H,23,24)
InChIKeyZECCTYHWNHECMF-UHFFFAOYSA-N
MW378.30 g/mol
LogP6.17
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 4676710) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
PubChem CID4676710
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC NameN-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-4-13(2)14-5-8-17(9-6-14)23-19(24)10-7-15-11-16(21)12-18(22)20(15)25-3/h5-13H,4H2,1-3H3,(H,23,24)
InChIKeyZECCTYHWNHECMF-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 56.17
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-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 1421909
N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 1397507
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 4008558
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
3-chloro-N-[3-[[(E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 2066848
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 3573638
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (CID 4676710) is N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is CCC(C)c1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZECCTYHWNHECMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-4-13(2)14-5-8-17(9-6-14)23-19(24)10-7-15-11-16(21)12-18(22)20(15)25-3/h5-13H,4H2,1-3H3,(H,23,24).
What are the key properties of N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide has a molecular weight of 378.30 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4676710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).