2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide

C14H15Cl3N2O2 — CID 14774534

IUPAC2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(=O)NCc2ccccc2Cl)CC1(Cl)Cl
InChIInChI=1S/C14H15Cl3N2O2/c1-13(8-14(13,16)17)12(21)19-7-11(20)18-6-9-4-2-3-5-10(9)15/h2-5H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyLSUQSLXOGJHSPX-UHFFFAOYSA-N
MW349.65 g/mol
LogP2.66
Rot. Bonds5

About 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 14774534) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID14774534
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC Name2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(=O)NCc2ccccc2Cl)CC1(Cl)Cl
InChIInChI=1S/C14H15Cl3N2O2/c1-13(8-14(13,16)17)12(21)19-7-11(20)18-6-9-4-2-3-5-10(9)15/h2-5H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyLSUQSLXOGJHSPX-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
CID 19817659
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
1-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166941
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide (CID 14774534) is 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC(=O)NCc2ccccc2Cl)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LSUQSLXOGJHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O2/c1-13(8-14(13,16)17)12(21)19-7-11(20)18-6-9-4-2-3-5-10(9)15/h2-5H,6-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 349.65 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 14774534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).