(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide

C18H22ClFN2O3 — CID 156586378

IUPAC(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(Cc1ccc(F)cc1Cl)N[C@H]1CC[C@H](C(=O)NC2CC2)C[C@@H]1O
InChIInChI=1S/C18H22ClFN2O3/c19-14-9-12(20)3-1-10(14)8-17(24)22-15-6-2-11(7-16(15)23)18(25)21-13-4-5-13/h1,3,9,11,13,15-16,23H,2,4-8H2,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1
InChIKeySVBLYNSBNDFDAQ-UVBJJODRSA-N
MW368.84 g/mol
LogP1.95
Rot. Bonds5

About (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide

(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide (PubChem CID 156586378) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide
PubChem CID156586378
Molecular FormulaC18H22ClFN2O3
Molecular Weight368.84 g/mol
Exact Mass368.13
IUPAC Name(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(Cc1ccc(F)cc1Cl)N[C@H]1CC[C@H](C(=O)NC2CC2)C[C@@H]1O
InChIInChI=1S/C18H22ClFN2O3/c19-14-9-12(20)3-1-10(14)8-17(24)22-15-6-2-11(7-16(15)23)18(25)21-13-4-5-13/h1,3,9,11,13,15-16,23H,2,4-8H2,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1
InChIKeySVBLYNSBNDFDAQ-UVBJJODRSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-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 (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide (CID 156586378) is (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide is O=C(Cc1ccc(F)cc1Cl)N[C@H]1CC[C@H](C(=O)NC2CC2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is SVBLYNSBNDFDAQ-UVBJJODRSA-N. The full InChI is InChI=1S/C18H22ClFN2O3/c19-14-9-12(20)3-1-10(14)8-17(24)22-15-6-2-11(7-16(15)23)18(25)21-13-4-5-13/h1,3,9,11,13,15-16,23H,2,4-8H2,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide?
(1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 368.84 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-4-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-N-cyclopropyl-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 156586378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).