tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate

C13H17FN2O4 — CID 177243692

IUPACtert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate
SMILESCOc1cc(F)ccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)20-12(18)16-15-11(17)9-6-5-8(14)7-10(9)19-4/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyYBHTZJCICPSAGN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate

tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate (PubChem CID 177243692) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate
PubChem CID177243692
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Nametert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate
SMILESCOc1cc(F)ccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)20-12(18)16-15-11(17)9-6-5-8(14)7-10(9)19-4/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyYBHTZJCICPSAGN-UHFFFAOYSA-N
XLogP2.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4-chloro-2-fluorobenzoyl)amino]carbamate
CID 26043246
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
1-tert-butyl-3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]thiourea
CID 9425478
(5-fluoro-2-methoxyphenyl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948709
tert-butyl 3-(4-fluoro-2-methoxyanilino)azetidine-1-carboxylate
CID 63303231
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
CID 113242207
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate (CID 177243692) is tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate is COc1cc(F)ccc1C(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate?
The InChIKey is YBHTZJCICPSAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-13(2,3)20-12(18)16-15-11(17)9-6-5-8(14)7-10(9)19-4/h5-7H,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate?
tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate has a molecular weight of 284.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-2-methoxybenzoyl)amino]carbamate is sourced from PubChem (CID 177243692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).