2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide

C15H11F4N3O3 — CID 156854184

IUPAC2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11F4N3O3/c16-8-2-1-3-9(6-8)21-14(24)22-12-7-10(25-15(17,18)19)4-5-11(12)13(20)23/h1-7H,(H2,20,23)(H2,21,22,24)
InChIKeyWSTOSSVARAHBQG-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.47
Rot. Bonds4

About 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide

2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide (PubChem CID 156854184) has the molecular formula C15H11F4N3O3 and a molecular weight of 357.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
PubChem CID156854184
Molecular FormulaC15H11F4N3O3
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC Name2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11F4N3O3/c16-8-2-1-3-9(6-8)21-14(24)22-12-7-10(25-15(17,18)19)4-5-11(12)13(20)23/h1-7H,(H2,20,23)(H2,21,22,24)
InChIKeyWSTOSSVARAHBQG-UHFFFAOYSA-N
XLogP3.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854115
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747484
2-[(3-bromophenyl)carbamoylamino]-N-(3-hydroxypropyl)-4-(trifluoromethoxy)benzamide
CID 170692568
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747520
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide (CID 156854184) is 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide is NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide?
The InChIKey is WSTOSSVARAHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O3/c16-8-2-1-3-9(6-8)21-14(24)22-12-7-10(25-15(17,18)19)4-5-11(12)13(20)23/h1-7H,(H2,20,23)(H2,21,22,24).
What are the key properties of 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide?
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide has a molecular weight of 357.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156854184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).