[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate

C10H12ClN5O2 — CID 142378040

IUPAC[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](CN1NC=NN1)c1ccccc1Cl
InChIInChI=1S/C10H12ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9,15H,5H2,(H2,12,17)(H,13,14)/t9-/m0/s1
InChIKeyIPJTXXFRSRICSC-VIFPVBQESA-N
MW269.69 g/mol
LogP0.74
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate

[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate (PubChem CID 142378040) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
PubChem CID142378040
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](CN1NC=NN1)c1ccccc1Cl
InChIInChI=1S/C10H12ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9,15H,5H2,(H2,12,17)(H,13,14)/t9-/m0/s1
InChIKeyIPJTXXFRSRICSC-VIFPVBQESA-N
XLogP0.74
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
CID 124560204
bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate
CID 175675341
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R,3R)-1-(2-chlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407128
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
CID 175881321
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate (CID 142378040) is [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate is NC(=O)O[C@@H](CN1NC=NN1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate?
The InChIKey is IPJTXXFRSRICSC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9,15H,5H2,(H2,12,17)(H,13,14)/t9-/m0/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate?
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate has a molecular weight of 269.69 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 142378040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).