3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea

C19H21F4N3O — CID 126427820

IUPAC3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCc1cccnc1C[C@H](C)N(C)C(=O)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C19H21F4N3O/c1-12-6-5-9-24-16(12)10-13(2)26(3)18(27)25-11-14-7-4-8-15(17(14)20)19(21,22)23/h4-9,13H,10-11H2,1-3H3,(H,25,27)/t13-/m0/s1
InChIKeyJOUQIBOXVUMSTM-ZDUSSCGKSA-N
MW383.39 g/mol
LogP4.32
Rot. Bonds5

About 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea

3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 126427820) has the molecular formula C19H21F4N3O and a molecular weight of 383.39 g/mol. Its IUPAC name is 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

Compound Name3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
PubChem CID126427820
Molecular FormulaC19H21F4N3O
Molecular Weight383.39 g/mol
Exact Mass383.16
IUPAC Name3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCc1cccnc1C[C@H](C)N(C)C(=O)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C19H21F4N3O/c1-12-6-5-9-24-16(12)10-13(2)26(3)18(27)25-11-14-7-4-8-15(17(14)20)19(21,22)23/h4-9,13H,10-11H2,1-3H3,(H,25,27)/t13-/m0/s1
InChIKeyJOUQIBOXVUMSTM-ZDUSSCGKSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea 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

1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 125436542
2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
CID 55206343
2-(2,4-dimethoxyphenyl)-N-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide
CID 135089747
N,6-dimethyl-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95509735
N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56865935
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
CID 125166507
4-fluoro-2-[[methyl-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]phenol
CID 95210782
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The IUPAC name of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea (CID 126427820) is 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea.
What is the SMILES notation for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The canonical SMILES for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea is Cc1cccnc1C[C@H](C)N(C)C(=O)NCc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
The InChIKey is JOUQIBOXVUMSTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F4N3O/c1-12-6-5-9-24-16(12)10-13(2)26(3)18(27)25-11-14-7-4-8-15(17(14)20)19(21,22)23/h4-9,13H,10-11H2,1-3H3,(H,25,27)/t13-/m0/s1.
What are the key properties of 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?
3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 383.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 126427820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).