1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide

C14H17ClN4O2 — CID 42359128

IUPAC1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C14H17ClN4O2/c1-10(9-21-2)16-14(20)13-8-19(18-17-13)7-11-5-3-4-6-12(11)15/h3-6,8,10H,7,9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyLVWFKVWDUBGKOC-SNVBAGLBSA-N
MW308.77 g/mol
LogP1.74
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide (PubChem CID 42359128) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
PubChem CID42359128
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C14H17ClN4O2/c1-10(9-21-2)16-14(20)13-8-19(18-17-13)7-11-5-3-4-6-12(11)15/h3-6,8,10H,7,9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyLVWFKVWDUBGKOC-SNVBAGLBSA-N
XLogP1.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)triazole-4-carboxamide
CID 45211543
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 42519718
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
1-(naphthalen-1-ylmethyl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]triazole-4-carboxamide
CID 25488403
1-[(2-chlorophenyl)methyl]-5-methoxy-N-propan-2-yltriazole-4-carboxamide
CID 91938638
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide (CID 42359128) is 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide is COC[C@@H](C)NC(=O)c1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide?
The InChIKey is LVWFKVWDUBGKOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-10(9-21-2)16-14(20)13-8-19(18-17-13)7-11-5-3-4-6-12(11)15/h3-6,8,10H,7,9H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 42359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).