2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide

C23H12Cl5N3O3 — CID 19073020

IUPAC2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1c(Cl)ccnc1Cl)Nc1cc(Cl)c(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C23H12Cl5N3O3/c24-14-5-6-18(13-4-2-1-3-12(13)14)34-20-16(26)9-11(10-17(20)27)30-23(33)31-22(32)19-15(25)7-8-29-21(19)28/h1-10H,(H2,30,31,32,33)
InChIKeyXTYXMYPKHZCJSH-UHFFFAOYSA-N
MW555.63 g/mol
LogP8.26
Rot. Bonds4

About 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide

2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide (PubChem CID 19073020) has the molecular formula C23H12Cl5N3O3 and a molecular weight of 555.63 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide
PubChem CID19073020
Molecular FormulaC23H12Cl5N3O3
Molecular Weight555.63 g/mol
Exact Mass552.93
IUPAC Name2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1c(Cl)ccnc1Cl)Nc1cc(Cl)c(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C23H12Cl5N3O3/c24-14-5-6-18(13-4-2-1-3-12(13)14)34-20-16(26)9-11(10-17(20)27)30-23(33)31-22(32)19-15(25)7-8-29-21(19)28/h1-10H,(H2,30,31,32,33)
InChIKeyXTYXMYPKHZCJSH-UHFFFAOYSA-N
XLogP8.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.63
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
4-[2,6-dichloro-4-[(2,6-dichlorobenzoyl)carbamoylamino]phenoxy]-3-phenylbenzoic acid
CID 19072682
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide (CID 19073020) is 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide is O=C(NC(=O)c1c(Cl)ccnc1Cl)Nc1cc(Cl)c(Oc2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide?
The InChIKey is XTYXMYPKHZCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl5N3O3/c24-14-5-6-18(13-4-2-1-3-12(13)14)34-20-16(26)9-11(10-17(20)27)30-23(33)31-22(32)19-15(25)7-8-29-21(19)28/h1-10H,(H2,30,31,32,33).
What are the key properties of 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide?
2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide has a molecular weight of 555.63 g/mol, XLogP of 8.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 19073020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).