1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

C20H18FN5O4 — CID 118419565

IUPAC1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3F)cc2)c1C(N)=O
InChIInChI=1S/C20H18FN5O4/c1-23-20(29)16-17(18(22)27)26(10-24-16)12-8-6-11(7-9-12)25-19(28)13-4-3-5-14(30-2)15(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyPKBRVJOAUOYHPD-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.73
Rot. Bonds6

About 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (PubChem CID 118419565) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
PubChem CID118419565
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3F)cc2)c1C(N)=O
InChIInChI=1S/C20H18FN5O4/c1-23-20(29)16-17(18(22)27)26(10-24-16)12-8-6-11(7-9-12)25-19(28)13-4-3-5-14(30-2)15(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyPKBRVJOAUOYHPD-UHFFFAOYSA-N
XLogP1.73
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181
1-[4-[[2-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419322
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330
1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419316
1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 143263580
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (CID 118419565) is 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is CNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3F)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The InChIKey is PKBRVJOAUOYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-23-20(29)16-17(18(22)27)26(10-24-16)12-8-6-11(7-9-12)25-19(28)13-4-3-5-14(30-2)15(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,29)(H,25,28).
What are the key properties of 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide has a molecular weight of 411.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).