N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide

C22H17Cl2FN2O3 — CID 90078240

IUPACN-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H17Cl2FN2O3/c1-27(22(29)20-16(24)4-3-5-17(20)25)18-9-7-12(11-19(18)30-2)14-10-13(21(26)28)6-8-15(14)23/h3-11H,1-2H3,(H2,26,28)
InChIKeyRNJCHDRLKQHBBQ-UHFFFAOYSA-N
MW447.29 g/mol
LogP5.18
Rot. Bonds5

About N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide

N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide (PubChem CID 90078240) has the molecular formula C22H17Cl2FN2O3 and a molecular weight of 447.29 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
PubChem CID90078240
Molecular FormulaC22H17Cl2FN2O3
Molecular Weight447.29 g/mol
Exact Mass446.06
IUPAC NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H17Cl2FN2O3/c1-27(22(29)20-16(24)4-3-5-17(20)25)18-9-7-12(11-19(18)30-2)14-10-13(21(26)28)6-8-15(14)23/h3-11H,1-2H3,(H2,26,28)
InChIKeyRNJCHDRLKQHBBQ-UHFFFAOYSA-N
XLogP5.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide (CID 90078240) is N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide is COc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The InChIKey is RNJCHDRLKQHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O3/c1-27(22(29)20-16(24)4-3-5-17(20)25)18-9-7-12(11-19(18)30-2)14-10-13(21(26)28)6-8-15(14)23/h3-11H,1-2H3,(H2,26,28).
What are the key properties of N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide?
N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide has a molecular weight of 447.29 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-2-chlorophenyl)-2-methoxyphenyl]-2-chloro-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 90078240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).