benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate

C18H18ClN3O3 — CID 175949318

IUPACbenzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCc1ccccc1)N(CCO)Cc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C18H18ClN3O3/c19-14-6-7-15-16(10-14)20-21-17(15)11-22(8-9-23)18(24)25-12-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11-12H2,(H,20,21)
InChIKeyUKWKQEQKQNUGDP-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.35
Rot. Bonds6

About benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate

benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 175949318) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate
PubChem CID175949318
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Namebenzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCc1ccccc1)N(CCO)Cc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C18H18ClN3O3/c19-14-6-7-15-16(10-14)20-21-17(15)11-22(8-9-23)18(24)25-12-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11-12H2,(H,20,21)
InChIKeyUKWKQEQKQNUGDP-UHFFFAOYSA-N
XLogP3.35
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide
CID 171370839
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
CID 111969900
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
2-(3-chlorophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664114
benzyl N-(2-hydroxyethyl)-N-[3-(2-nitrophenyl)-3-oxopropyl]carbamate
CID 70215142
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate (CID 175949318) is benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate is O=C(OCc1ccccc1)N(CCO)Cc1[nH]nc2cc(Cl)ccc12.
What is the InChIKey of benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is UKWKQEQKQNUGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-6-7-15-16(10-14)20-21-17(15)11-22(8-9-23)18(24)25-12-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11-12H2,(H,20,21).
What are the key properties of benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate?
benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 359.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 175949318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).