N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide

C21H17Cl2NO3 — CID 138495135

IUPACN-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)Nc2ccc(Cl)c(Oc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H17Cl2NO3/c1-12-9-13(2)20(25)17(10-12)21(26)24-15-5-8-18(23)19(11-15)27-16-6-3-14(22)4-7-16/h3-11,25H,1-2H3,(H,24,26)
InChIKeyVLMIBXAHVDLHFM-UHFFFAOYSA-N
MW402.28 g/mol
LogP6.36
Rot. Bonds4

About N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide

N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide (PubChem CID 138495135) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide
PubChem CID138495135
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC NameN-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)Nc2ccc(Cl)c(Oc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H17Cl2NO3/c1-12-9-13(2)20(25)17(10-12)21(26)24-15-5-8-18(23)19(11-15)27-16-6-3-14(22)4-7-16/h3-11,25H,1-2H3,(H,24,26)
InChIKeyVLMIBXAHVDLHFM-UHFFFAOYSA-N
XLogP6.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
CID 142869645
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
CID 162656930
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide?
The IUPAC name of N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide (CID 138495135) is N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide is Cc1cc(C)c(O)c(C(=O)Nc2ccc(Cl)c(Oc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide?
The InChIKey is VLMIBXAHVDLHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c1-12-9-13(2)20(25)17(10-12)21(26)24-15-5-8-18(23)19(11-15)27-16-6-3-14(22)4-7-16/h3-11,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide?
N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide has a molecular weight of 402.28 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide is sourced from PubChem (CID 138495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).