5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide

C18H18ClN5O — CID 41118456

IUPAC5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1nnn(-c2cccc(Cl)c2)c1N)c1ccccc1
InChIInChI=1S/C18H18ClN5O/c1-12(13-6-3-2-4-7-13)11-21-18(25)16-17(20)24(23-22-16)15-9-5-8-14(19)10-15/h2-10,12H,11,20H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyOAXNIWVTRDPKCQ-GFCCVEGCSA-N
MW355.83 g/mol
LogP3.04
Rot. Bonds5

About 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide

5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide (PubChem CID 41118456) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
PubChem CID41118456
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
SMILESC[C@H](CNC(=O)c1nnn(-c2cccc(Cl)c2)c1N)c1ccccc1
InChIInChI=1S/C18H18ClN5O/c1-12(13-6-3-2-4-7-13)11-21-18(25)16-17(20)24(23-22-16)15-9-5-8-14(19)10-15/h2-10,12H,11,20H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyOAXNIWVTRDPKCQ-GFCCVEGCSA-N
XLogP3.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
CID 41091338
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
1-[(3-chlorophenyl)methyl]-N-[(2R)-2-phenylpropyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 95057320
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide (CID 41118456) is 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide is C[C@H](CNC(=O)c1nnn(-c2cccc(Cl)c2)c1N)c1ccccc1.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide?
The InChIKey is OAXNIWVTRDPKCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12(13-6-3-2-4-7-13)11-21-18(25)16-17(20)24(23-22-16)15-9-5-8-14(19)10-15/h2-10,12H,11,20H2,1H3,(H,21,25)/t12-/m1/s1.
What are the key properties of 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide?
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 41118456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).