benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate

C19H20ClN3O3 — CID 103393137

IUPACbenzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
SMILESNC(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c20-17-10-13(6-7-16(17)18(21)24)22-14-8-15(9-14)23-19(25)26-11-12-4-2-1-3-5-12/h1-7,10,14-15,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeyUNBJGZNPHBOVFW-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.31
Rot. Bonds6

About benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate

benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate (PubChem CID 103393137) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
PubChem CID103393137
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Namebenzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
SMILESNC(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c20-17-10-13(6-7-16(17)18(21)24)22-14-8-15(9-14)23-19(25)26-11-12-4-2-1-3-5-12/h1-7,10,14-15,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeyUNBJGZNPHBOVFW-UHFFFAOYSA-N
XLogP3.31
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660
benzyl N-[3-[4-(cyanomethoxy)anilino]cyclobutyl]carbamate
CID 103392875

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate (CID 103393137) is benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate is NC(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1Cl.
What is the InChIKey of benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate?
The InChIKey is UNBJGZNPHBOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-17-10-13(6-7-16(17)18(21)24)22-14-8-15(9-14)23-19(25)26-11-12-4-2-1-3-5-12/h1-7,10,14-15,22H,8-9,11H2,(H2,21,24)(H,23,25).
What are the key properties of benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate?
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate has a molecular weight of 373.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103393137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).