tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate

C15H21FN2O3 — CID 9210708

IUPACtert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
SMILESCc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10-5-6-11(9-12(10)16)18-13(19)7-8-17-14(20)21-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGRFFDKAJQKNCTO-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate

tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate (PubChem CID 9210708) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
PubChem CID9210708
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
SMILESCc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10-5-6-11(9-12(10)16)18-13(19)7-8-17-14(20)21-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGRFFDKAJQKNCTO-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646803
tert-butyl N-[3-oxo-3-[3-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108919991
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852
tert-butyl N-[3-[3-[3-(4-methylphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920089
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
tert-butyl N-[3-[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920034
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate (CID 9210708) is tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate is Cc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate?
The InChIKey is GRFFDKAJQKNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-5-6-11(9-12(10)16)18-13(19)7-8-17-14(20)21-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate is sourced from PubChem (CID 9210708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).