tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate

C19H20Cl2N2O4 — CID 143492212

IUPACtert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O4/c1-19(2,3)27-18(26)22-10-11-4-6-13(7-5-11)23-17(25)12-8-14(20)16(24)15(21)9-12/h4-9,24H,10H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUFOIGHMKPSIUFU-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate (PubChem CID 143492212) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate
PubChem CID143492212
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Nametert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O4/c1-19(2,3)27-18(26)22-10-11-4-6-13(7-5-11)23-17(25)12-8-14(20)16(24)15(21)9-12/h4-9,24H,10H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUFOIGHMKPSIUFU-UHFFFAOYSA-N
XLogP4.98
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
tert-butyl N-[3-[[4-[(3,5-dihydroxybenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920615
tert-butyl N-[[4-[(4-bromo-3-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 165118530
tert-butyl N-[3-[4-[[(3,5-dihydroxybenzoyl)amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920616
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
tert-butyl N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]carbamate
CID 44817757
tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 54015016
tert-butyl N-[[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9072686
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate (CID 143492212) is tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate?
The InChIKey is UFOIGHMKPSIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-19(2,3)27-18(26)22-10-11-4-6-13(7-5-11)23-17(25)12-8-14(20)16(24)15(21)9-12/h4-9,24H,10H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate has a molecular weight of 411.29 g/mol, XLogP of 4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 143492212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).