2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide

C19H12Cl3N3O3 — CID 13254511

IUPAC2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C19H12Cl3N3O3/c20-11-8-16(22)18(23-10-11)28-13-5-3-4-12(9-13)24-19(27)25-17(26)14-6-1-2-7-15(14)21/h1-10H,(H2,24,25,26,27)
InChIKeyNFDGQSPVPFVXJF-UHFFFAOYSA-N
MW436.68 g/mol
LogP5.80
Rot. Bonds4

About 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide

2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide (PubChem CID 13254511) has the molecular formula C19H12Cl3N3O3 and a molecular weight of 436.68 g/mol. Its IUPAC name is 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
PubChem CID13254511
Molecular FormulaC19H12Cl3N3O3
Molecular Weight436.68 g/mol
Exact Mass434.99
IUPAC Name2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C19H12Cl3N3O3/c20-11-8-16(22)18(23-10-11)28-13-5-3-4-12(9-13)24-19(27)25-17(26)14-6-1-2-7-15(14)21/h1-10H,(H2,24,25,26,27)
InChIKeyNFDGQSPVPFVXJF-UHFFFAOYSA-N
XLogP5.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
CID 154220951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide (CID 13254511) is 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cccc(Oc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The InChIKey is NFDGQSPVPFVXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O3/c20-11-8-16(22)18(23-10-11)28-13-5-3-4-12(9-13)24-19(27)25-17(26)14-6-1-2-7-15(14)21/h1-10H,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide has a molecular weight of 436.68 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 13254511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).