tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate

C23H25Cl2NO2 — CID 66808904

IUPACtert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1=Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H25Cl2NO2/c1-14(26-22(27)28-23(2,3)4)17-11-15-7-5-6-8-18(15)19(12-17)16-9-10-20(24)21(25)13-16/h5-11,13-14,19H,12H2,1-4H3,(H,26,27)
InChIKeyQWHQHPHHXQYRCR-UHFFFAOYSA-N
MW418.36 g/mol
LogP6.83
Rot. Bonds3

About tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate

tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate (PubChem CID 66808904) has the molecular formula C23H25Cl2NO2 and a molecular weight of 418.36 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate
PubChem CID66808904
Molecular FormulaC23H25Cl2NO2
Molecular Weight418.36 g/mol
Exact Mass417.13
IUPAC Nametert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1=Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H25Cl2NO2/c1-14(26-22(27)28-23(2,3)4)17-11-15-7-5-6-8-18(15)19(12-17)16-9-10-20(24)21(25)13-16/h5-11,13-14,19H,12H2,1-4H3,(H,26,27)
InChIKeyQWHQHPHHXQYRCR-UHFFFAOYSA-N
XLogP6.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine
CID 70313038
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
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tert-butyl N-[(4S)-7-amino-4-(3,4-dichlorophenyl)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
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tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
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tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
CID 88905183
CID 88905183
tert-butyl N-[1-(2-bromo-6-chlorophenyl)ethyl]carbamate
CID 155887557
tert-butyl N-[1-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
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tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate (CID 66808904) is tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1=Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate?
The InChIKey is QWHQHPHHXQYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO2/c1-14(26-22(27)28-23(2,3)4)17-11-15-7-5-6-8-18(15)19(12-17)16-9-10-20(24)21(25)13-16/h5-11,13-14,19H,12H2,1-4H3,(H,26,27).
What are the key properties of tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate?
tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate has a molecular weight of 418.36 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate is sourced from PubChem (CID 66808904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).