2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid

C19H17Cl2NO2 — CID 69107677

IUPAC2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1=Cc2ccccc2C(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C19H17Cl2NO2/c20-17-7-3-6-15(18(17)21)16-11-12(8-9-22-19(23)24)10-13-4-1-2-5-14(13)16/h1-7,10,16,22H,8-9,11H2,(H,23,24)
InChIKeyYREFSUHPHPHNTE-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.57
Rot. Bonds4

About 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid

2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid (PubChem CID 69107677) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid
PubChem CID69107677
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1=Cc2ccccc2C(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C19H17Cl2NO2/c20-17-7-3-6-15(18(17)21)16-11-12(8-9-22-19(23)24)10-13-4-1-2-5-14(13)16/h1-7,10,16,22H,8-9,11H2,(H,23,24)
InChIKeyYREFSUHPHPHNTE-UHFFFAOYSA-N
XLogP5.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid (CID 69107677) is 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid is O=C(O)NCCC1=Cc2ccccc2C(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid?
The InChIKey is YREFSUHPHPHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-17-7-3-6-15(18(17)21)16-11-12(8-9-22-19(23)24)10-13-4-1-2-5-14(13)16/h1-7,10,16,22H,8-9,11H2,(H,23,24).
What are the key properties of 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid?
2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid has a molecular weight of 362.26 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethylcarbamic acid is sourced from PubChem (CID 69107677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).