N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

C22H24F3N3O4 — CID 52521347

IUPACN-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O4/c1-13-5-8-16(27-20(30)14-6-7-14)10-19(13)28-21(31)26-11-17(29)12-32-18-4-2-3-15(9-18)22(23,24)25/h2-5,8-10,14,17,29H,6-7,11-12H2,1H3,(H,27,30)(H2,26,28,31)/t17-/m0/s1
InChIKeyNTDTYCSQEXAHRV-KRWDZBQOSA-N
MW451.45 g/mol
LogP3.92
Rot. Bonds8

About N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 52521347) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID52521347
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC NameN-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O4/c1-13-5-8-16(27-20(30)14-6-7-14)10-19(13)28-21(31)26-11-17(29)12-32-18-4-2-3-15(9-18)22(23,24)25/h2-5,8-10,14,17,29H,6-7,11-12H2,1H3,(H,27,30)(H2,26,28,31)/t17-/m0/s1
InChIKeyNTDTYCSQEXAHRV-KRWDZBQOSA-N
XLogP3.92
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-[3-(2-oxoazetidin-1-yl)phenyl]urea
CID 100737640
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide
CID 166375592
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
N-[3-[[(2S)-2-cyanopropyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 95975285
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide (CID 52521347) is N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is NTDTYCSQEXAHRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c1-13-5-8-16(27-20(30)14-6-7-14)10-19(13)28-21(31)26-11-17(29)12-32-18-4-2-3-15(9-18)22(23,24)25/h2-5,8-10,14,17,29H,6-7,11-12H2,1H3,(H,27,30)(H2,26,28,31)/t17-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 52521347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).