N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

C20H18F2N2O4 — CID 100638811

IUPACN-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCC(F)(F)C2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18F2N2O4/c21-20(22)7-6-13(10-20)19(26)24-15-3-1-2-14(9-15)23-18(25)12-4-5-16-17(8-12)28-11-27-16/h1-5,8-9,13H,6-7,10-11H2,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyKOCCBGBKYZJVDN-CYBMUJFWSA-N
MW388.37 g/mol
LogP4.04
Rot. Bonds4

About N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 100638811) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID100638811
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC NameN-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCC(F)(F)C2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18F2N2O4/c21-20(22)7-6-13(10-20)19(26)24-15-3-1-2-14(9-15)23-18(25)12-4-5-16-17(8-12)28-11-27-16/h1-5,8-9,13H,6-7,10-11H2,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyKOCCBGBKYZJVDN-CYBMUJFWSA-N
XLogP4.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
N-[3-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 647324
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
N-[3-[[(2S)-2-pyrrol-1-ylpropanoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 97067674
N-[3-[[(2R)-2-pyrrol-1-ylpropanoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 97067675
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34968963
N-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 34979188
N-[3-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 38496033
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 100638811) is N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(NC(=O)[C@@H]2CCC(F)(F)C2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KOCCBGBKYZJVDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-20(22)7-6-13(10-20)19(26)24-15-3-1-2-14(9-15)23-18(25)12-4-5-16-17(8-12)28-11-27-16/h1-5,8-9,13H,6-7,10-11H2,(H,23,25)(H,24,26)/t13-/m1/s1.
What are the key properties of N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-3,3-difluorocyclopentanecarbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 100638811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).