N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide

C17H19Cl2FN2O2 — CID 78888966

IUPACN-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C17H19Cl2FN2O2/c18-17(19)9-12(17)16(24)21-11-6-7-13(20)14(8-11)22-15(23)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9H2,(H,21,24)(H,22,23)
InChIKeyUAUSCBUYODXCJC-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.48
Rot. Bonds4

About N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide

N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 78888966) has the molecular formula C17H19Cl2FN2O2 and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID78888966
Molecular FormulaC17H19Cl2FN2O2
Molecular Weight373.26 g/mol
Exact Mass372.08
IUPAC NameN-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1F)C1CCCCC1
InChIInChI=1S/C17H19Cl2FN2O2/c18-17(19)9-12(17)16(24)21-11-6-7-13(20)14(8-11)22-15(23)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9H2,(H,21,24)(H,22,23)
InChIKeyUAUSCBUYODXCJC-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.48
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-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
CID 94130346
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
CID 119711617
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide (CID 78888966) is N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide is O=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1F)C1CCCCC1.
What is the InChIKey of N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is UAUSCBUYODXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN2O2/c18-17(19)9-12(17)16(24)21-11-6-7-13(20)14(8-11)22-15(23)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 373.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 78888966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).