1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

C17H16ClF3N4O2 — CID 71086894

IUPAC1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C17H16ClF3N4O2/c18-12-7-10(14-9-22-5-6-27-14)1-3-13(12)25-16(26)24-11-2-4-15(23-8-11)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H2,24,25,26)/t14-/m1/s1
InChIKeyRHIVXACMZCNCEU-CQSZACIVSA-N
MW400.79 g/mol
LogP4.06
Rot. Bonds3

About 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 71086894) has the molecular formula C17H16ClF3N4O2 and a molecular weight of 400.79 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID71086894
Molecular FormulaC17H16ClF3N4O2
Molecular Weight400.79 g/mol
Exact Mass400.09
IUPAC Name1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C17H16ClF3N4O2/c18-12-7-10(14-9-22-5-6-27-14)1-3-13(12)25-16(26)24-11-2-4-15(23-8-11)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H2,24,25,26)/t14-/m1/s1
InChIKeyRHIVXACMZCNCEU-CQSZACIVSA-N
XLogP4.06
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.79
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-morpholin-2-ylphenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]urea
CID 71087036
1-(2-bromo-4-morpholin-2-ylphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 71086833
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67241922
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053
1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
CID 71086858
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
CID 71086990
1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 87325728
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 71087228

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (CID 71086894) is 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is RHIVXACMZCNCEU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16ClF3N4O2/c18-12-7-10(14-9-22-5-6-27-14)1-3-13(12)25-16(26)24-11-2-4-15(23-8-11)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H2,24,25,26)/t14-/m1/s1.
What are the key properties of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 400.79 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 71086894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).