tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate

C19H21FN2O3 — CID 54015016

IUPACtert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)25-18(24)21-12-13-8-10-14(11-9-13)22-17(23)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKVAGTFWNDBSXKP-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.10
Rot. Bonds4

About tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate (PubChem CID 54015016) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
PubChem CID54015016
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Nametert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)25-18(24)21-12-13-8-10-14(11-9-13)22-17(23)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKVAGTFWNDBSXKP-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(4-bromo-3-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 165118530
tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
CID 25186226
2-[[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]phenyl]carbamoyl]benzoic acid
CID 20822934
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 4-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]piperazine-1-carboxylate
CID 122546539
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539735
tert-butyl N-[3-[4-[(naphthalene-1-carbonylamino)methyl]anilino]-3-oxopropyl]carbamate
CID 108920522
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate
CID 143492212

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate (CID 54015016) is tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate?
The InChIKey is KVAGTFWNDBSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,3)25-18(24)21-12-13-8-10-14(11-9-13)22-17(23)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate has a molecular weight of 344.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 54015016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).