N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide

C21H19ClN4O3 — CID 160550258

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C21H19ClN4O3/c1-3-17(27)18-19(24-11-23-18)21(29)25-13-8-9-16(12(2)10-13)26-20(28)14-6-4-5-7-15(14)22/h4-11H,3H2,1-2H3,(H,23,24)(H,25,29)(H,26,28)
InChIKeyQXYVZPFFROAFTF-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide (PubChem CID 160550258) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
PubChem CID160550258
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C21H19ClN4O3/c1-3-17(27)18-19(24-11-23-18)21(29)25-13-8-9-16(12(2)10-13)26-20(28)14-6-4-5-7-15(14)22/h4-11H,3H2,1-2H3,(H,23,24)(H,25,29)(H,26,28)
InChIKeyQXYVZPFFROAFTF-UHFFFAOYSA-N
XLogP4.47
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424174
N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 161261913
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylphenyl]-5-N-[2-(dimethylamino)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118424178
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419685
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylphenyl]-5-N-(2-piperidin-1-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 118424123
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118419131
5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349426
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-imidazole-4,5-dicarboxamide
CID 118419265
4-(5-amino-5-methylhexanoyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-5-carboxamide
CID 147115197

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide (CID 160550258) is N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide is CCC(=O)c1nc[nH]c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(C)c1.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The InChIKey is QXYVZPFFROAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-3-17(27)18-19(24-11-23-18)21(29)25-13-8-9-16(12(2)10-13)26-20(28)14-6-4-5-7-15(14)22/h4-11H,3H2,1-2H3,(H,23,24)(H,25,29)(H,26,28).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 160550258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).