tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate

C16H19ClN2O3 — CID 103818486

IUPACtert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)19-12-6-4-11(5-7-12)18-10-13-8-9-14(17)21-13/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyIADJGGSEVWKHJJ-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.89
Rot. Bonds4

About tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate

tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate (PubChem CID 103818486) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
PubChem CID103818486
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nametert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)19-12-6-4-11(5-7-12)18-10-13-8-9-14(17)21-13/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyIADJGGSEVWKHJJ-UHFFFAOYSA-N
XLogP4.89
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 60780224
tert-butyl N-[4-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenyl]carbamate
CID 114076676
tert-butyl N-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]carbamate
CID 107239497
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 74787607
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate (CID 103818486) is tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1.
What is the InChIKey of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate?
The InChIKey is IADJGGSEVWKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(20)19-12-6-4-11(5-7-12)18-10-13-8-9-14(17)21-13/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate?
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate has a molecular weight of 322.79 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103818486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).