tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate

C20H23FN2O3 — CID 9077789

IUPACtert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-5-10-16(21)11-17(13)23-18(24)15-8-6-14(7-9-15)12-22-19(25)26-20(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGSWAZDHPIKLCHQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 9077789) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID9077789
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-5-10-16(21)11-17(13)23-18(24)15-8-6-14(7-9-15)12-22-19(25)26-20(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGSWAZDHPIKLCHQ-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
4-methoxy-3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid
CID 163196860
tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate (CID 9077789) is tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate is Cc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is GSWAZDHPIKLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13-5-10-16(21)11-17(13)23-18(24)15-8-6-14(7-9-15)12-22-19(25)26-20(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 358.41 g/mol, XLogP of 4.41, 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-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 9077789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).