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

C14H11F2N3O2 — CID 156854097

IUPAC4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccc(F)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H11F2N3O2/c15-8-2-1-3-10(6-8)18-14(21)19-12-7-9(16)4-5-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
InChIKeyBPTJYBYYXJVAAW-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.71
Rot. Bonds3

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

4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide (PubChem CID 156854097) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
PubChem CID156854097
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1ccc(F)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H11F2N3O2/c15-8-2-1-3-10(6-8)18-14(21)19-12-7-9(16)4-5-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
InChIKeyBPTJYBYYXJVAAW-UHFFFAOYSA-N
XLogP2.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854115
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
CID 156854184
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The IUPAC name of 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide (CID 156854097) is 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The canonical SMILES for 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide is NC(=O)c1ccc(F)cc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The InChIKey is BPTJYBYYXJVAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c15-8-2-1-3-10(6-8)18-14(21)19-12-7-9(16)4-5-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21).
What are the key properties of 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide has a molecular weight of 291.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 156854097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).