benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate

C22H18FNO3 — CID 146167265

IUPACbenzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate
SMILESCC(=O)c1ccc(F)c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H18FNO3/c1-15(25)18-9-12-21(23)20(13-18)17-7-10-19(11-8-17)24-22(26)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeySNYOFKLENYPYPL-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.44
Rot. Bonds5

About benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate

benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate (PubChem CID 146167265) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate
PubChem CID146167265
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Namebenzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate
SMILESCC(=O)c1ccc(F)c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H18FNO3/c1-15(25)18-9-12-21(23)20(13-18)17-7-10-19(11-8-17)24-22(26)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeySNYOFKLENYPYPL-UHFFFAOYSA-N
XLogP5.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
Methyl 13-(2,4-difluoroanilino)-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate
CID 71546525
4-Fluorobenzyl 4-(acetylamino)benzoate
CID 974932
Benzhydryl 2-(propanoylamino)benzoate
CID 1309991
ethyl 2-fluoro-4-(9-oxo-10H-acridin-2-yl)benzoate
CID 24794045
benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate
CID 24851540
Ethyl 13-(2,4-difluoroanilino)-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate
CID 71546526
Propyl 13-(2,4-difluoroanilino)-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate
CID 71546527
benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
CID 127032253
benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate
CID 164616646
Methyl 4-{[4-(4-fluorophenyl)-4-oxobutanoyl]amino}benzoate
CID 880428

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate (CID 146167265) is benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate is CC(=O)c1ccc(F)c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c1.
What is the InChIKey of benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate?
The InChIKey is SNYOFKLENYPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-15(25)18-9-12-21(23)20(13-18)17-7-10-19(11-8-17)24-22(26)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate?
benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate has a molecular weight of 363.39 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(5-acetyl-2-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 146167265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).