2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide

C18H17F2N3O2 — CID 47994300

IUPAC2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)ccc1F
InChIInChI=1S/C18H17F2N3O2/c19-12-4-2-11(3-5-12)18(8-1-9-18)23-17(25)22-13-6-7-15(20)14(10-13)16(21)24/h2-7,10H,1,8-9H2,(H2,21,24)(H2,22,23,25)
InChIKeyUZJHTPMGNDNYRI-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.26
Rot. Bonds4

About 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide

2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide (PubChem CID 47994300) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
PubChem CID47994300
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)ccc1F
InChIInChI=1S/C18H17F2N3O2/c19-12-4-2-11(3-5-12)18(8-1-9-18)23-17(25)22-13-6-7-15(20)14(10-13)16(21)24/h2-7,10H,1,8-9H2,(H2,21,24)(H2,22,23,25)
InChIKeyUZJHTPMGNDNYRI-UHFFFAOYSA-N
XLogP3.26
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
CID 139013882
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110443081
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 56519168
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216084
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide?
The IUPAC name of 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide (CID 47994300) is 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide is NC(=O)c1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide?
The InChIKey is UZJHTPMGNDNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-12-4-2-11(3-5-12)18(8-1-9-18)23-17(25)22-13-6-7-15(20)14(10-13)16(21)24/h2-7,10H,1,8-9H2,(H2,21,24)(H2,22,23,25).
What are the key properties of 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide?
2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide has a molecular weight of 345.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide is sourced from PubChem (CID 47994300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).