2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide

C24H16Cl2N2O3 — CID 23455386

IUPAC2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H16Cl2N2O3/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30)
InChIKeyZKKHQJMFGZLLPV-UHFFFAOYSA-N
MW451.31 g/mol
LogP6.90
Rot. Bonds4

About 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide

2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide (PubChem CID 23455386) has the molecular formula C24H16Cl2N2O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
PubChem CID23455386
Molecular FormulaC24H16Cl2N2O3
Molecular Weight451.31 g/mol
Exact Mass450.05
IUPAC Name2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H16Cl2N2O3/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30)
InChIKeyZKKHQJMFGZLLPV-UHFFFAOYSA-N
XLogP6.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
CID 57245040
4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
CID 58834878
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654433
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
[2-(3,4-dichloroanilino)-2-oxoethyl] 5-(4-naphthalen-1-yloxyanilino)-5-oxopentanoate
CID 17260199

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide (CID 23455386) is 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide?
The InChIKey is ZKKHQJMFGZLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3/c25-19-8-4-9-20(26)22(19)23(29)28-24(30)27-16-11-13-17(14-12-16)31-21-10-3-6-15-5-1-2-7-18(15)21/h1-14H,(H2,27,28,29,30).
What are the key properties of 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide?
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide has a molecular weight of 451.31 g/mol, XLogP of 6.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 23455386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).