(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate

C13H18Cl2N2O2 — CID 79337552

IUPAC(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
SMILESCCC(N)(CC)COC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-3-13(16,4-2)8-19-12(18)17-11-7-9(14)5-6-10(11)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyFORUQAIWRVNOCR-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.06
Rot. Bonds5

About (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate

(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate (PubChem CID 79337552) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
PubChem CID79337552
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
SMILESCCC(N)(CC)COC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-3-13(16,4-2)8-19-12(18)17-11-7-9(14)5-6-10(11)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyFORUQAIWRVNOCR-UHFFFAOYSA-N
XLogP4.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
CID 30027
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 112700262
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
CID 65173264
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
diethyl 2-[(2,5-dichloroanilino)-iodomethylidene]propanedioate
CID 88680000

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate (CID 79337552) is (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate is CCC(N)(CC)COC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate?
The InChIKey is FORUQAIWRVNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-3-13(16,4-2)8-19-12(18)17-11-7-9(14)5-6-10(11)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18).
What are the key properties of (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate?
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate has a molecular weight of 305.20 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 79337552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).