2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide

C15H16Cl2N2O2 — CID 46570320

IUPAC2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-10(7-11)18-12(20)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyLTNTUNLFTJRRBB-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.56
Rot. Bonds4

About 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 46570320) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID46570320
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-10(7-11)18-12(20)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyLTNTUNLFTJRRBB-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.56
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

N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638
1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119710445
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide (CID 46570320) is 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LTNTUNLFTJRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-10(7-11)18-12(20)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).