trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide

C16H19F2NO2 — CID 91788538

IUPACtrans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C16H19F2NO2/c17-11-4-5-14(18)13(9-11)16(6-7-16)19-15(21)10-2-1-3-12(20)8-10/h4-5,9-10,12,20H,1-3,6-8H2,(H,19,21)/t10-,12-/m0/s1
InChIKeyKXSNIFYOICWFAE-JQWIXIFHSA-N
MW295.33 g/mol
LogP2.62
Rot. Bonds3

About trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide

trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide (PubChem CID 91788538) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide
PubChem CID91788538
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nametrans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C16H19F2NO2/c17-11-4-5-14(18)13(9-11)16(6-7-16)19-15(21)10-2-1-3-12(20)8-10/h4-5,9-10,12,20H,1-3,6-8H2,(H,19,21)/t10-,12-/m0/s1
InChIKeyKXSNIFYOICWFAE-JQWIXIFHSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide 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 trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide (CID 91788538) is trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide is O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is KXSNIFYOICWFAE-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-11-4-5-14(18)13(9-11)16(6-7-16)19-15(21)10-2-1-3-12(20)8-10/h4-5,9-10,12,20H,1-3,6-8H2,(H,19,21)/t10-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide?
trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-[1-(2,5-difluorophenyl)cyclopropyl]-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 91788538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).