N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

C24H20BrClF2N2O3 — CID 14626021

IUPACN-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(Cl)c1Oc1ccc(Br)c(C)c1C
InChIInChI=1S/C24H20BrClF2N2O3/c1-11-10-18(29-24(32)30-23(31)20-16(27)6-5-7-17(20)28)14(4)21(26)22(11)33-19-9-8-15(25)12(2)13(19)3/h5-10H,1-4H3,(H2,29,30,31,32)
InChIKeyYGCBBXAFVRNWCQ-UHFFFAOYSA-N
MW537.79 g/mol
LogP7.37
Rot. Bonds4

About N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 14626021) has the molecular formula C24H20BrClF2N2O3 and a molecular weight of 537.79 g/mol. Its IUPAC name is N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID14626021
Molecular FormulaC24H20BrClF2N2O3
Molecular Weight537.79 g/mol
Exact Mass536.03
IUPAC NameN-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(Cl)c1Oc1ccc(Br)c(C)c1C
InChIInChI=1S/C24H20BrClF2N2O3/c1-11-10-18(29-24(32)30-23(31)20-16(27)6-5-7-17(20)28)14(4)21(26)22(11)33-19-9-8-15(25)12(2)13(19)3/h5-10H,1-4H3,(H2,29,30,31,32)
InChIKeyYGCBBXAFVRNWCQ-UHFFFAOYSA-N
XLogP7.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.79
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
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-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamothioyl]-2,6-difluorobenzamide
CID 19072855
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]-6-fluorobenzamide
CID 19934975
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072595
N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
CID 19072789

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (CID 14626021) is N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(Cl)c1Oc1ccc(Br)c(C)c1C.
What is the InChIKey of N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is YGCBBXAFVRNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrClF2N2O3/c1-11-10-18(29-24(32)30-23(31)20-16(27)6-5-7-17(20)28)14(4)21(26)22(11)33-19-9-8-15(25)12(2)13(19)3/h5-10H,1-4H3,(H2,29,30,31,32).
What are the key properties of N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 537.79 g/mol, XLogP of 7.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 14626021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).