N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide

C17H17ClN4O2 — CID 94183539

IUPACN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NC[C@H](O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN4O2/c1-2-22-15-7-6-12(9-14(15)20-21-22)17(24)19-10-16(23)11-4-3-5-13(18)8-11/h3-9,16,23H,2,10H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyLJFQNTSKLIAAMY-INIZCTEOSA-N
MW344.80 g/mol
LogP2.57
Rot. Bonds5

About N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide

N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 94183539) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID94183539
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NC[C@H](O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN4O2/c1-2-22-15-7-6-12(9-14(15)20-21-22)17(24)19-10-16(23)11-4-3-5-13(18)8-11/h3-9,16,23H,2,10H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyLJFQNTSKLIAAMY-INIZCTEOSA-N
XLogP2.57
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide (CID 94183539) is N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NC[C@H](O)c3cccc(Cl)c3)ccc21.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is LJFQNTSKLIAAMY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-2-22-15-7-6-12(9-14(15)20-21-22)17(24)19-10-16(23)11-4-3-5-13(18)8-11/h3-9,16,23H,2,10H2,1H3,(H,19,24)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide?
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 94183539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).