N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide

C22H16Cl3FN2O3 — CID 19072870

IUPACN-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)c(Cl)c(C)c1NC(=O)NC(=O)c1ccccc1F
InChIInChI=1S/C22H16Cl3FN2O3/c1-11-9-18(31-17-10-13(23)7-8-15(17)24)19(25)12(2)20(11)27-22(30)28-21(29)14-5-3-4-6-16(14)26/h3-10H,1-2H3,(H2,27,28,29,30)
InChIKeyLALPCTBCIIWHGG-UHFFFAOYSA-N
MW481.74 g/mol
LogP7.16
Rot. Bonds4

About N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide

N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide (PubChem CID 19072870) has the molecular formula C22H16Cl3FN2O3 and a molecular weight of 481.74 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide
PubChem CID19072870
Molecular FormulaC22H16Cl3FN2O3
Molecular Weight481.74 g/mol
Exact Mass480.02
IUPAC NameN-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)c(Cl)c(C)c1NC(=O)NC(=O)c1ccccc1F
InChIInChI=1S/C22H16Cl3FN2O3/c1-11-9-18(31-17-10-13(23)7-8-15(17)24)19(25)12(2)20(11)27-22(30)28-21(29)14-5-3-4-6-16(14)26/h3-10H,1-2H3,(H2,27,28,29,30)
InChIKeyLALPCTBCIIWHGG-UHFFFAOYSA-N
XLogP7.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.74
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19934972
2-chloro-N-[[2,3,6-trichloro-4-(2,4,5-trichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19072795
(2,5-dichlorophenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 8927547
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
CID 19072983
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072665
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-2-fluorobenzamide
CID 54785745

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide?
The IUPAC name of N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide (CID 19072870) is N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide?
The canonical SMILES for N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide is Cc1cc(Oc2cc(Cl)ccc2Cl)c(Cl)c(C)c1NC(=O)NC(=O)c1ccccc1F.
What is the InChIKey of N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide?
The InChIKey is LALPCTBCIIWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3FN2O3/c1-11-9-18(31-17-10-13(23)7-8-15(17)24)19(25)12(2)20(11)27-22(30)28-21(29)14-5-3-4-6-16(14)26/h3-10H,1-2H3,(H2,27,28,29,30).
What are the key properties of N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide?
N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide has a molecular weight of 481.74 g/mol, XLogP of 7.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide is sourced from PubChem (CID 19072870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).