tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate

C20H22FN3O4 — CID 55768268

IUPACtert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C20H22FN3O4/c1-12(25)22-14-7-5-6-13(10-14)18(26)23-15-8-9-16(21)17(11-15)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQRZIGXHORHZPQF-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate

tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate (PubChem CID 55768268) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
PubChem CID55768268
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Nametert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C20H22FN3O4/c1-12(25)22-14-7-5-6-13(10-14)18(26)23-15-8-9-16(21)17(11-15)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQRZIGXHORHZPQF-UHFFFAOYSA-N
XLogP4.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
CID 55969313
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[2-fluoro-5-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]carbamate
CID 55767886
tert-butyl N-[2-fluoro-5-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]carbamate
CID 55768238
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
CID 55968285
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate (CID 55768268) is tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate is CC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate?
The InChIKey is QRZIGXHORHZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-12(25)22-14-7-5-6-13(10-14)18(26)23-15-8-9-16(21)17(11-15)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate?
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate has a molecular weight of 387.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate is sourced from PubChem (CID 55768268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).