tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate

C20H22F2N2O3 — CID 129048291

IUPACtert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-11-10-23-18(25)15-12-13(8-9-17(15)22)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGRKKFYICFJCZEV-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate (PubChem CID 129048291) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
PubChem CID129048291
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-11-10-23-18(25)15-12-13(8-9-17(15)22)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGRKKFYICFJCZEV-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 129047852
ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium
CID 145297202
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl (3R)-4-[[4-[2-fluoro-5-(2-fluorophenyl)phenyl]-4-oxobutyl]amino]-3-methyl-4-oxobutanoate
CID 157447097
[3-[[4-(tert-butylamino)-1-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-1,4-dioxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
CID 170356035
tert-butyl N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]propyl]carbamate
CID 130257081
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-(3-chloro-4-fluoroanilino)ethyl]carbamate
CID 115868886
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
tert-butyl N-[[7-chloro-5-[4-fluoro-3-(2-hydroxyethylcarbamoyl)phenyl]-1-benzofuran-2-yl]methyl]carbamate
CID 163898378

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate (CID 129048291) is tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F.
What is the InChIKey of tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate?
The InChIKey is GRKKFYICFJCZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-11-10-23-18(25)15-12-13(8-9-17(15)22)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate has a molecular weight of 376.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 129048291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).