N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide

C15H16Cl2N2O2 — CID 46536638

IUPACN-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-9(7-11)12(20)18-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyVCRZOUCANKMWGH-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.10
Rot. Bonds4

About N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide

N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46536638) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46536638
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC NameN-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-9(7-11)12(20)18-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyVCRZOUCANKMWGH-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 46570320
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide (CID 46536638) is N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide is CC1(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1(Cl)Cl.
What is the InChIKey of N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is VCRZOUCANKMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-14(8-15(14,16)17)13(21)19-11-4-2-3-9(7-11)12(20)18-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide?
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 327.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46536638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).