N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide

C24H21ClFN5O2 — CID 18728094

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H21ClFN5O2/c1-14-3-7-20(18(11-14)24(33)30-21-8-5-16(25)13-28-21)29-23(32)17-6-4-15(12-19(17)26)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyGWOLNWITROFWDD-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.38
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide

N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide (PubChem CID 18728094) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide
PubChem CID18728094
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H21ClFN5O2/c1-14-3-7-20(18(11-14)24(33)30-21-8-5-16(25)13-28-21)29-23(32)17-6-4-15(12-19(17)26)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyGWOLNWITROFWDD-UHFFFAOYSA-N
XLogP4.38
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide (CID 18728094) is N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide?
The InChIKey is GWOLNWITROFWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-14-3-7-20(18(11-14)24(33)30-21-8-5-16(25)13-28-21)29-23(32)17-6-4-15(12-19(17)26)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide has a molecular weight of 465.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide is sourced from PubChem (CID 18728094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).