(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide

C17H14Cl2N2O2 — CID 51327918

IUPAC(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide
SMILESNC(=O)C(NC(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(19)12(13)9-10-15(22)21-16(17(20)23)11-5-2-1-3-6-11/h1-10,16H,(H2,20,23)(H,21,22)/b10-9+
InChIKeyHVBSUGQRVDAYRX-MDZDMXLPSA-N
MW349.22 g/mol
LogP3.35
Rot. Bonds5

About (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide

(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide (PubChem CID 51327918) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide
PubChem CID51327918
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide
SMILESNC(=O)C(NC(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(19)12(13)9-10-15(22)21-16(17(20)23)11-5-2-1-3-6-11/h1-10,16H,(H2,20,23)(H,21,22)/b10-9+
InChIKeyHVBSUGQRVDAYRX-MDZDMXLPSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
CID 103598072
(2R)-2-[3-(2,6-dichlorophenyl)prop-2-enoylamino]butanoic acid
CID 79023911
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 156572042
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
(E)-3-(2,6-dichlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841512
2-(chloroamino)-2-phenylacetamide
CID 89152727
2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 43238687
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
N-(diaminomethylidene)-3-(2,6-dichlorophenyl)prop-2-enamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174544055
(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 16587985
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide (CID 51327918) is (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide is NC(=O)C(NC(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
The InChIKey is HVBSUGQRVDAYRX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(19)12(13)9-10-15(22)21-16(17(20)23)11-5-2-1-3-6-11/h1-10,16H,(H2,20,23)(H,21,22)/b10-9+.
What are the key properties of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide?
(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide has a molecular weight of 349.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(2,6-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 51327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).