2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide

C13H12Cl4N2O2 — CID 71443805

IUPAC2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide
SMILESO=C(NC(C=Cc1ccccc1)NC(=O)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C13H12Cl4N2O2/c14-10(15)12(20)18-9(19-13(21)11(16)17)7-6-8-4-2-1-3-5-8/h1-7,9-11H,(H,18,20)(H,19,21)
InChIKeyLRRQHHLDZCQUOV-UHFFFAOYSA-N
MW370.06 g/mol
LogP2.87
Rot. Bonds6

About 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide

2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide (PubChem CID 71443805) has the molecular formula C13H12Cl4N2O2 and a molecular weight of 370.06 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide
PubChem CID71443805
Molecular FormulaC13H12Cl4N2O2
Molecular Weight370.06 g/mol
Exact Mass367.97
IUPAC Name2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide
SMILESO=C(NC(C=Cc1ccccc1)NC(=O)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C13H12Cl4N2O2/c14-10(15)12(20)18-9(19-13(21)11(16)17)7-6-8-4-2-1-3-5-8/h1-7,9-11H,(H,18,20)(H,19,21)
InChIKeyLRRQHHLDZCQUOV-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.06
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
CID 138982001
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
[(E)-3-chloro-3-nitrosoprop-1-enyl]benzene
CID 123825295
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
3-phenylprop-2-ene-1,1-diol
CID 54432533
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E)-2-(4-methylpentan-2-ylamino)-4-phenylbut-3-enoic acid
CID 20656151
CID 91112579
CID 91112579

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide (CID 71443805) is 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide is O=C(NC(C=Cc1ccccc1)NC(=O)C(Cl)Cl)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide?
The InChIKey is LRRQHHLDZCQUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl4N2O2/c14-10(15)12(20)18-9(19-13(21)11(16)17)7-6-8-4-2-1-3-5-8/h1-7,9-11H,(H,18,20)(H,19,21).
What are the key properties of 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide?
2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide has a molecular weight of 370.06 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 71443805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).