[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate

C10H9Cl2N5O2 — CID 11962451

IUPAC[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1ncnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N5O2/c11-7-2-1-6(3-8(7)12)9(19-10(13)18)4-17-15-5-14-16-17/h1-3,5,9H,4H2,(H2,13,18)/t9-/m0/s1
InChIKeyTWIUABQBIFTFTG-VIFPVBQESA-N
MW302.12 g/mol
LogP1.82
Rot. Bonds4

About [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate

[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate (PubChem CID 11962451) has the molecular formula C10H9Cl2N5O2 and a molecular weight of 302.12 g/mol. Its IUPAC name is [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
PubChem CID11962451
Molecular FormulaC10H9Cl2N5O2
Molecular Weight302.12 g/mol
Exact Mass301.01
IUPAC Name[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1ncnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N5O2/c11-7-2-1-6(3-8(7)12)9(19-10(13)18)4-17-15-5-14-16-17/h1-3,5,9H,4H2,(H2,13,18)/t9-/m0/s1
InChIKeyTWIUABQBIFTFTG-VIFPVBQESA-N
XLogP1.82
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate
CID 175675341
2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
CID 142760151
[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
CID 175881321
[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175023396
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
[1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-(cyclopropanecarbonylamino)ethyl] carbamate
CID 175024639
(2S,3S,4S,5R,6R)-6-[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 146019672
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
CID 21422263
carbamoyl N-[(2S)-2-carbamoyloxy-2-(4-chlorophenyl)ethyl]carbamate
CID 22940933

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate?
The IUPAC name of [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate (CID 11962451) is [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate?
The canonical SMILES for [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate is NC(=O)O[C@@H](Cn1ncnn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate?
The InChIKey is TWIUABQBIFTFTG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9Cl2N5O2/c11-7-2-1-6(3-8(7)12)9(19-10(13)18)4-17-15-5-14-16-17/h1-3,5,9H,4H2,(H2,13,18)/t9-/m0/s1.
What are the key properties of [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate?
[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate has a molecular weight of 302.12 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 11962451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).