tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate

C22H25ClN2O3 — CID 138554710

IUPACtert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C22H25ClN2O3/c1-21(2,3)28-20(27)25-22(12-5-13-22)16-8-10-18(11-9-16)24-19(26)15-6-4-7-17(23)14-15/h4,6-11,14H,5,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBDYQBJYNTYITSE-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.50
Rot. Bonds4

About tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate (PubChem CID 138554710) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
PubChem CID138554710
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Nametert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C22H25ClN2O3/c1-21(2,3)28-20(27)25-22(12-5-13-22)16-8-10-18(11-9-16)24-19(26)15-6-4-7-17(23)14-15/h4,6-11,14H,5,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBDYQBJYNTYITSE-UHFFFAOYSA-N
XLogP5.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide
CID 138543813
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917112
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate (CID 138554710) is tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate?
The InChIKey is BDYQBJYNTYITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-21(2,3)28-20(27)25-22(12-5-13-22)16-8-10-18(11-9-16)24-19(26)15-6-4-7-17(23)14-15/h4,6-11,14H,5,12-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate has a molecular weight of 400.91 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 138554710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).