2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide

C25H21Cl3N2O3 — CID 19072983

IUPAC2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
SMILESCc1cc(Oc2ccc(Cl)c3c2CCCC3)c(Cl)cc1NC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H21Cl3N2O3/c1-14-12-23(33-22-11-10-19(27)15-6-2-3-7-16(15)22)20(28)13-21(14)29-25(32)30-24(31)17-8-4-5-9-18(17)26/h4-5,8-13H,2-3,6-7H2,1H3,(H2,29,30,31,32)
InChIKeyNVEFMPFYFRZXIY-UHFFFAOYSA-N
MW503.81 g/mol
LogP7.59
Rot. Bonds4

About 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide

2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide (PubChem CID 19072983) has the molecular formula C25H21Cl3N2O3 and a molecular weight of 503.81 g/mol. Its IUPAC name is 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
PubChem CID19072983
Molecular FormulaC25H21Cl3N2O3
Molecular Weight503.81 g/mol
Exact Mass502.06
IUPAC Name2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
SMILESCc1cc(Oc2ccc(Cl)c3c2CCCC3)c(Cl)cc1NC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C25H21Cl3N2O3/c1-14-12-23(33-22-11-10-19(27)15-6-2-3-7-16(15)22)20(28)13-21(14)29-25(32)30-24(31)17-8-4-5-9-18(17)26/h4-5,8-13H,2-3,6-7H2,1H3,(H2,29,30,31,32)
InChIKeyNVEFMPFYFRZXIY-UHFFFAOYSA-N
XLogP7.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.81
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide (CID 19072983) is 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide is Cc1cc(Oc2ccc(Cl)c3c2CCCC3)c(Cl)cc1NC(=O)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide?
The InChIKey is NVEFMPFYFRZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3N2O3/c1-14-12-23(33-22-11-10-19(27)15-6-2-3-7-16(15)22)20(28)13-21(14)29-25(32)30-24(31)17-8-4-5-9-18(17)26/h4-5,8-13H,2-3,6-7H2,1H3,(H2,29,30,31,32).
What are the key properties of 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide?
2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide has a molecular weight of 503.81 g/mol, XLogP of 7.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 19072983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).