trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide

C20H20F2N2O2 — CID 7832111

IUPACtrans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H20F2N2O2/c21-15-6-2-8-17(11-15)23-19(25)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(22)12-18/h2-3,6-9,11-14H,1,4-5,10H2,(H,23,25)(H,24,26)/t13-,14-/m0/s1
InChIKeyRIRNTNCTSCKVLB-KBPBESRZSA-N
MW358.39 g/mol
LogP4.35
Rot. Bonds4

About trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide

trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide (PubChem CID 7832111) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
PubChem CID7832111
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nametrans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H20F2N2O2/c21-15-6-2-8-17(11-15)23-19(25)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(22)12-18/h2-3,6-9,11-14H,1,4-5,10H2,(H,23,25)(H,24,26)/t13-,14-/m0/s1
InChIKeyRIRNTNCTSCKVLB-KBPBESRZSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide 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

3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549857
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N'-(3-fluorophenyl)cyclobutanecarbohydrazide
CID 169221984
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide (CID 7832111) is trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide is O=C(Nc1cccc(F)c1)[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is RIRNTNCTSCKVLB-KBPBESRZSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-15-6-2-8-17(11-15)23-19(25)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(22)12-18/h2-3,6-9,11-14H,1,4-5,10H2,(H,23,25)(H,24,26)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide?
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 7832111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).