benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate

C18H18Cl2N2O2 — CID 103392779

IUPACbenzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2cc(Cl)cc(Cl)c2)C1)OCc1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c19-13-6-14(20)8-15(7-13)21-16-9-17(10-16)22-18(23)24-11-12-4-2-1-3-5-12/h1-8,16-17,21H,9-11H2,(H,22,23)
InChIKeyGTONVEVMLAPHAT-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.86
Rot. Bonds5

About benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate

benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate (PubChem CID 103392779) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
PubChem CID103392779
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Namebenzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
SMILESO=C(NC1CC(Nc2cc(Cl)cc(Cl)c2)C1)OCc1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c19-13-6-14(20)8-15(7-13)21-16-9-17(10-16)22-18(23)24-11-12-4-2-1-3-5-12/h1-8,16-17,21H,9-11H2,(H,22,23)
InChIKeyGTONVEVMLAPHAT-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate (CID 103392779) is benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate is O=C(NC1CC(Nc2cc(Cl)cc(Cl)c2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate?
The InChIKey is GTONVEVMLAPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-13-6-14(20)8-15(7-13)21-16-9-17(10-16)22-18(23)24-11-12-4-2-1-3-5-12/h1-8,16-17,21H,9-11H2,(H,22,23).
What are the key properties of benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate?
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate has a molecular weight of 365.26 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).