2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide

C15H14FN3O3 — CID 156854115

IUPAC2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(NC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H14FN3O3/c1-22-11-5-6-12(14(17)20)13(8-11)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyVPIQMNMOVDOPED-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.58
Rot. Bonds4

About 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide

2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide (PubChem CID 156854115) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
PubChem CID156854115
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(NC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H14FN3O3/c1-22-11-5-6-12(14(17)20)13(8-11)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyVPIQMNMOVDOPED-UHFFFAOYSA-N
XLogP2.58
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
CID 156854184
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
[2-(3-fluoroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524188
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide?
The IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide (CID 156854115) is 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide.
What is the SMILES notation for 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide?
The canonical SMILES for 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)c(NC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide?
The InChIKey is VPIQMNMOVDOPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-22-11-5-6-12(14(17)20)13(8-11)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide?
2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide has a molecular weight of 303.29 g/mol, XLogP of 2.58, 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-methoxybenzamide is sourced from PubChem (CID 156854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).