N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide

C29H24Cl2N2O4 — CID 19072789

IUPACN-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)Nc1cc(C)c(Oc2ccc(Cl)cc2-c2ccccc2)c(Cl)c1C
InChIInChI=1S/C29H24Cl2N2O4/c1-17-15-23(32-29(35)33-28(34)21-11-7-8-12-24(21)36-3)18(2)26(31)27(17)37-25-14-13-20(30)16-22(25)19-9-5-4-6-10-19/h4-16H,1-3H3,(H2,32,33,34,35)
InChIKeySBXXLQKGHIYPKK-UHFFFAOYSA-N
MW535.43 g/mol
LogP8.04
Rot. Bonds6

About N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide

N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide (PubChem CID 19072789) has the molecular formula C29H24Cl2N2O4 and a molecular weight of 535.43 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
PubChem CID19072789
Molecular FormulaC29H24Cl2N2O4
Molecular Weight535.43 g/mol
Exact Mass534.11
IUPAC NameN-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)Nc1cc(C)c(Oc2ccc(Cl)cc2-c2ccccc2)c(Cl)c1C
InChIInChI=1S/C29H24Cl2N2O4/c1-17-15-23(32-29(35)33-28(34)21-11-7-8-12-24(21)36-3)18(2)26(31)27(17)37-25-14-13-20(30)16-22(25)19-9-5-4-6-10-19/h4-16H,1-3H3,(H2,32,33,34,35)
InChIKeySBXXLQKGHIYPKK-UHFFFAOYSA-N
XLogP8.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 58.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14820748
N-[[3-chloro-2,5-dimethyl-4-(2-methylphenoxy)phenyl]carbamothioyl]-2-methylbenzamide
CID 19072963
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
2-methoxy-N-[(4-phenyl-3-propan-2-ylphenyl)carbamoyl]benzamide
CID 70689618
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide?
The IUPAC name of N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide (CID 19072789) is N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide?
The canonical SMILES for N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=O)Nc1cc(C)c(Oc2ccc(Cl)cc2-c2ccccc2)c(Cl)c1C.
What is the InChIKey of N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide?
The InChIKey is SBXXLQKGHIYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O4/c1-17-15-23(32-29(35)33-28(34)21-11-7-8-12-24(21)36-3)18(2)26(31)27(17)37-25-14-13-20(30)16-22(25)19-9-5-4-6-10-19/h4-16H,1-3H3,(H2,32,33,34,35).
What are the key properties of N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide?
N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide has a molecular weight of 535.43 g/mol, XLogP of 8.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide is sourced from PubChem (CID 19072789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).