1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

C21H17FN2O3 — CID 109057463

IUPAC1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O3/c1-27-19-7-3-6-18(13-19)24-21(26)15-5-2-4-14(12-15)20(25)23-17-10-8-16(22)9-11-17/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyJNDWBGCFKBRUCP-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.34
Rot. Bonds5

About 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057463) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057463
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O3/c1-27-19-7-3-6-18(13-19)24-21(26)15-5-2-4-14(12-15)20(25)23-17-10-8-16(22)9-11-17/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyJNDWBGCFKBRUCP-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057463) is 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is JNDWBGCFKBRUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-27-19-7-3-6-18(13-19)24-21(26)15-5-2-4-14(12-15)20(25)23-17-10-8-16(22)9-11-17/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).