tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate

C22H23FN4O3 — CID 55801691

IUPACtert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)cc2)c1
InChIInChI=1S/C22H23FN4O3/c1-14-12-24-27(13-14)17-8-5-15(6-9-17)20(28)25-16-7-10-18(23)19(11-16)26-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyOFQWGGLIMGJTMM-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate (PubChem CID 55801691) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
PubChem CID55801691
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Nametert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCc1cnn(-c2ccc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)cc2)c1
InChIInChI=1S/C22H23FN4O3/c1-14-12-24-27(13-14)17-8-5-15(6-9-17)20(28)25-16-7-10-18(23)19(11-16)26-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyOFQWGGLIMGJTMM-UHFFFAOYSA-N
XLogP4.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
CID 55849666
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
CID 86930596
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate (CID 55801691) is tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate is Cc1cnn(-c2ccc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)cc2)c1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The InChIKey is OFQWGGLIMGJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-12-24-27(13-14)17-8-5-15(6-9-17)20(28)25-16-7-10-18(23)19(11-16)26-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate has a molecular weight of 410.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 55801691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).