benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate

C19H21ClN2O3 — CID 103392787

IUPACbenzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccc(Cl)cc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-8-7-14(20)9-17(18)21-15-10-16(11-15)22-19(23)25-12-13-5-3-2-4-6-13/h2-9,15-16,21H,10-12H2,1H3,(H,22,23)
InChIKeyUOWCLKJTIYIWEX-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.22
Rot. Bonds6

About benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate

benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate (PubChem CID 103392787) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
PubChem CID103392787
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Namebenzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccc(Cl)cc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-8-7-14(20)9-17(18)21-15-10-16(11-15)22-19(23)25-12-13-5-3-2-4-6-13/h2-9,15-16,21H,10-12H2,1H3,(H,22,23)
InChIKeyUOWCLKJTIYIWEX-UHFFFAOYSA-N
XLogP4.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660
benzyl N-[3-(2,3,5-trifluoroanilino)cyclobutyl]carbamate
CID 103393393
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
benzyl N-[3-(2-chloro-5-nitroanilino)cyclobutyl]carbamate
CID 103393094
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate (CID 103392787) is benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate is COc1ccc(Cl)cc1NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate?
The InChIKey is UOWCLKJTIYIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-18-8-7-14(20)9-17(18)21-15-10-16(11-15)22-19(23)25-12-13-5-3-2-4-6-13/h2-9,15-16,21H,10-12H2,1H3,(H,22,23).
What are the key properties of benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate?
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate has a molecular weight of 360.84 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).