2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

C19H18ClN5O2 — CID 73425669

IUPAC2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
InChIKeyYFVSCTVWQLLOGQ-GOSISDBHSA-N
MW383.84 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (PubChem CID 73425669) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
PubChem CID73425669
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
InChIKeyYFVSCTVWQLLOGQ-GOSISDBHSA-N
XLogP2.83
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 73386706
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425668
5-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425670
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425671
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425774
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425775
2-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425776
2-(3-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425777
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425778
2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425885
2-(4-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425887
2-(4-ethoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (CID 73425669) is 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The InChIKey is YFVSCTVWQLLOGQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 73425669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).