2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide

C24H22Cl2N2O3 — CID 14626055

IUPAC2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3ccccc3Cl)c(C)c2Cl)c(C)c1
InChIInChI=1S/C24H22Cl2N2O3/c1-13-9-10-20(14(2)11-13)31-22-15(3)12-19(16(4)21(22)26)27-24(30)28-23(29)17-7-5-6-8-18(17)25/h5-12H,1-4H3,(H2,27,28,29,30)
InChIKeyIHUNWSWDVRNJPD-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.98
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 14626055) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID14626055
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3ccccc3Cl)c(C)c2Cl)c(C)c1
InChIInChI=1S/C24H22Cl2N2O3/c1-13-9-10-20(14(2)11-13)31-22-15(3)12-19(16(4)21(22)26)27-24(30)28-23(29)17-7-5-6-8-18(17)25/h5-12H,1-4H3,(H2,27,28,29,30)
InChIKeyIHUNWSWDVRNJPD-UHFFFAOYSA-N
XLogP6.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14820748
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
CID 19072789
N-[[4-[(4-amino-2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-3-chloro-2,5-dimethylphenyl]carbamoyl]-2-chlorobenzamide
CID 19935020
2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072639
N-[[3-chloro-2,5-dimethyl-4-(2-methylphenoxy)phenyl]carbamothioyl]-2-methylbenzamide
CID 19072963
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide (CID 14626055) is 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide is Cc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3ccccc3Cl)c(C)c2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is IHUNWSWDVRNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-13-9-10-20(14(2)11-13)31-22-15(3)12-19(16(4)21(22)26)27-24(30)28-23(29)17-7-5-6-8-18(17)25/h5-12H,1-4H3,(H2,27,28,29,30).
What are the key properties of 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 6.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 14626055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).