N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

C16H18Cl2N2O2 — CID 17421584

IUPACN-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESO=C(NC1CCCC1)c1ccccc1NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C16H18Cl2N2O2/c17-16(18)9-12(16)15(22)20-13-8-4-3-7-11(13)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,21)(H,20,22)
InChIKeyUCOQIMHZXUZQRH-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.49
Rot. Bonds4

About N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (PubChem CID 17421584) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
PubChem CID17421584
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC NameN-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESO=C(NC1CCCC1)c1ccccc1NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C16H18Cl2N2O2/c17-16(18)9-12(16)15(22)20-13-8-4-3-7-11(13)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,21)(H,20,22)
InChIKeyUCOQIMHZXUZQRH-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.49
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-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17223536
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
2-chloro-N-cyclopentylbenzamide
CID 669043
2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
CID 78790788
2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (CID 17421584) is N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is O=C(NC1CCCC1)c1ccccc1NC(=O)C1CC1(Cl)Cl.
What is the InChIKey of N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The InChIKey is UCOQIMHZXUZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c17-16(18)9-12(16)15(22)20-13-8-4-3-7-11(13)14(21)19-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide has a molecular weight of 341.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 17421584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).