3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide

C16H20F2N2O — CID 118304654

IUPAC3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide
SMILESNC1CC1c1cccc(C(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H20F2N2O/c17-16(18)6-4-12(5-7-16)20-15(21)11-3-1-2-10(8-11)13-9-14(13)19/h1-3,8,12-14H,4-7,9,19H2,(H,20,21)
InChIKeyRGQHRKLTQRYCBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide

3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide (PubChem CID 118304654) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide.

Molecular Properties

Compound Name3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide
PubChem CID118304654
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide
SMILESNC1CC1c1cccc(C(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H20F2N2O/c17-16(18)6-4-12(5-7-16)20-15(21)11-3-1-2-10(8-11)13-9-14(13)19/h1-3,8,12-14H,4-7,9,19H2,(H,20,21)
InChIKeyRGQHRKLTQRYCBM-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide?
The IUPAC name of 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide (CID 118304654) is 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide.
What is the SMILES notation for 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide?
The canonical SMILES for 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide is NC1CC1c1cccc(C(=O)NC2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide?
The InChIKey is RGQHRKLTQRYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-16(18)6-4-12(5-7-16)20-15(21)11-3-1-2-10(8-11)13-9-14(13)19/h1-3,8,12-14H,4-7,9,19H2,(H,20,21).
What are the key properties of 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide?
3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)benzamide is sourced from PubChem (CID 118304654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).