[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate

C17H15Cl2NO2 — CID 2489222

IUPAC[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c18-14-9-8-12(10-15(14)19)20-17(21)22-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21)/t16-/m0/s1
InChIKeyIXBKCMZHBFDNFQ-INIZCTEOSA-N
MW336.22 g/mol
LogP5.62
Rot. Bonds2

About [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate

[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate (PubChem CID 2489222) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
PubChem CID2489222
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c18-14-9-8-12(10-15(14)19)20-17(21)22-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21)/t16-/m0/s1
InChIKeyIXBKCMZHBFDNFQ-INIZCTEOSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.22
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
CID 102129679
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040
1,2,3,4-tetrahydronaphthalen-1-yl 3-fluoropyridine-4-carboxylate
CID 115646681
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
CID 43166910
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260681
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate (CID 2489222) is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CCCc2ccccc21.
What is the InChIKey of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is IXBKCMZHBFDNFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-14-9-8-12(10-15(14)19)20-17(21)22-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21)/t16-/m0/s1.
What are the key properties of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate?
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 336.22 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 2489222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).