3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide

C15H14FN3O2 — CID 9210618

IUPAC3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1F
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-12(8-13(9)16)18-14(20)10-3-2-4-11(7-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyBUPOIEGDPIWGRI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.88
Rot. Bonds3

About 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide

3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 9210618) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID9210618
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1F
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-12(8-13(9)16)18-14(20)10-3-2-4-11(7-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyBUPOIEGDPIWGRI-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide (CID 9210618) is 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1F.
What is the InChIKey of 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is BUPOIEGDPIWGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-5-6-12(8-13(9)16)18-14(20)10-3-2-4-11(7-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide?
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 9210618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).