1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

C19H15ClFN5O3 — CID 118419005

IUPAC1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C19H15ClFN5O3/c1-23-19(29)15-16(17(22)27)26(9-24-15)12-5-3-11(4-6-12)25-18(28)13-8-10(21)2-7-14(13)20/h2-9H,1H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyROLHTXJXDSWNLE-UHFFFAOYSA-N
MW415.81 g/mol
LogP2.38
Rot. Bonds5

About 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (PubChem CID 118419005) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
PubChem CID118419005
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C19H15ClFN5O3/c1-23-19(29)15-16(17(22)27)26(9-24-15)12-5-3-11(4-6-12)25-18(28)13-8-10(21)2-7-14(13)20/h2-9H,1H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyROLHTXJXDSWNLE-UHFFFAOYSA-N
XLogP2.38
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419305
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
1-[4-[[2-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419322
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]imidazole-4,5-dicarboxamide
CID 118419024
1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419316
1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419686
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (CID 118419005) is 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is CNC(=O)c1ncn(-c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The InChIKey is ROLHTXJXDSWNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c1-23-19(29)15-16(17(22)27)26(9-24-15)12-5-3-11(4-6-12)25-18(28)13-8-10(21)2-7-14(13)20/h2-9H,1H3,(H2,22,27)(H,23,29)(H,25,28).
What are the key properties of 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide has a molecular weight of 415.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).