5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide

C24H19Cl2FN4O2 — CID 59089799

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCC2)cc1F
InChIInChI=1S/C24H19Cl2FN4O2/c1-13-9-16(26)11-18(24(33)30-21-7-5-15(25)12-29-21)22(13)31-23(32)17-6-4-14(10-19(17)27)20-3-2-8-28-20/h4-7,9-12H,2-3,8H2,1H3,(H,31,32)(H,29,30,33)
InChIKeyLLTBOPSYACIGFM-UHFFFAOYSA-N
MW485.35 g/mol
LogP5.92
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide (PubChem CID 59089799) has the molecular formula C24H19Cl2FN4O2 and a molecular weight of 485.35 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide
PubChem CID59089799
Molecular FormulaC24H19Cl2FN4O2
Molecular Weight485.35 g/mol
Exact Mass484.09
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCC2)cc1F
InChIInChI=1S/C24H19Cl2FN4O2/c1-13-9-16(26)11-18(24(33)30-21-7-5-15(25)12-29-21)22(13)31-23(32)17-6-4-14(10-19(17)27)20-3-2-8-28-20/h4-7,9-12H,2-3,8H2,1H3,(H,31,32)(H,29,30,33)
InChIKeyLLTBOPSYACIGFM-UHFFFAOYSA-N
XLogP5.92
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide (CID 59089799) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCC2)cc1F.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide?
The InChIKey is LLTBOPSYACIGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN4O2/c1-13-9-16(26)11-18(24(33)30-21-7-5-15(25)12-29-21)22(13)31-23(32)17-6-4-14(10-19(17)27)20-3-2-8-28-20/h4-7,9-12H,2-3,8H2,1H3,(H,31,32)(H,29,30,33).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide has a molecular weight of 485.35 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide is sourced from PubChem (CID 59089799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).