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

C21H20ClN5O4 — CID 118419406

IUPAC1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3Cl)cc2)c1C(N)=O
InChIInChI=1S/C21H20ClN5O4/c1-3-24-21(30)17-18(19(23)28)27(11-25-17)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,30)(H,26,29)
InChIKeyDQUXPWQGAIMFMA-UHFFFAOYSA-N
MW441.88 g/mol
LogP2.64
Rot. Bonds7

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

1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide (PubChem CID 118419406) has the molecular formula C21H20ClN5O4 and a molecular weight of 441.88 g/mol. Its IUPAC name is 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
PubChem CID118419406
Molecular FormulaC21H20ClN5O4
Molecular Weight441.88 g/mol
Exact Mass441.12
IUPAC Name1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3Cl)cc2)c1C(N)=O
InChIInChI=1S/C21H20ClN5O4/c1-3-24-21(30)17-18(19(23)28)27(11-25-17)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,30)(H,26,29)
InChIKeyDQUXPWQGAIMFMA-UHFFFAOYSA-N
XLogP2.64
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419378
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-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 134232324
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419305
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide (CID 118419406) is 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide is CCNC(=O)c1ncn(-c2ccc(NC(=O)c3cccc(OC)c3Cl)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
The InChIKey is DQUXPWQGAIMFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O4/c1-3-24-21(30)17-18(19(23)28)27(11-25-17)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,30)(H,26,29).
What are the key properties of 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide?
1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide has a molecular weight of 441.88 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).