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

C11H10Cl2N4O2 — CID 11962489

IUPAC[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1nccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O2/c12-7-1-2-8(9(13)5-7)10(19-11(14)18)6-17-15-3-4-16-17/h1-5,10H,6H2,(H2,14,18)/t10-/m0/s1
InChIKeySEWIQVFKKFNAMP-JTQLQIEISA-N
MW301.13 g/mol
LogP2.42
Rot. Bonds4

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

[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate (PubChem CID 11962489) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
PubChem CID11962489
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
SMILESNC(=O)O[C@@H](Cn1nccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O2/c12-7-1-2-8(9(13)5-7)10(19-11(14)18)6-17-15-3-4-16-17/h1-5,10H,6H2,(H2,14,18)/t10-/m0/s1
InChIKeySEWIQVFKKFNAMP-JTQLQIEISA-N
XLogP2.42
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
[(3S)-1-(2,4-dichlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407200
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate
CID 53231004
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3-methylsulfanylprop-2-enoate
CID 154775836
[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
CID 142378040
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(2,4-dichlorophenyl)ethanethioate
CID 54353590

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate?
The IUPAC name of [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate (CID 11962489) is [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate?
The canonical SMILES for [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate is NC(=O)O[C@@H](Cn1nccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate?
The InChIKey is SEWIQVFKKFNAMP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c12-7-1-2-8(9(13)5-7)10(19-11(14)18)6-17-15-3-4-16-17/h1-5,10H,6H2,(H2,14,18)/t10-/m0/s1.
What are the key properties of [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate?
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate has a molecular weight of 301.13 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 11962489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).