N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide

C23H17Cl2FN4O2 — CID 59089736

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F
InChIInChI=1S/C23H17Cl2FN4O2/c24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19/h3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32)
InChIKeyYOYMDVRSHLUKQY-UHFFFAOYSA-N
MW471.32 g/mol
LogP5.61
Rot. Bonds5

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide (PubChem CID 59089736) has the molecular formula C23H17Cl2FN4O2 and a molecular weight of 471.32 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide
PubChem CID59089736
Molecular FormulaC23H17Cl2FN4O2
Molecular Weight471.32 g/mol
Exact Mass470.07
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F
InChIInChI=1S/C23H17Cl2FN4O2/c24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19/h3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32)
InChIKeyYOYMDVRSHLUKQY-UHFFFAOYSA-N
XLogP5.61
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.32
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
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{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium
CID 9959749
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CID 10203976
N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10205659
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)benzamide
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5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11503981
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11518307
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 11612290
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
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5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
CID 18727836

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide (CID 59089736) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide?
The InChIKey is YOYMDVRSHLUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN4O2/c24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19/h3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32).
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide has a molecular weight of 471.32 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 59089736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).