N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide

C21H16ClFN2O3 — CID 1313347

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClFN2O3/c1-28-19-12-13(24-21(27)15-7-3-5-9-17(15)23)10-11-18(19)25-20(26)14-6-2-4-8-16(14)22/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyAEKQGQZMSUKLFK-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.99
Rot. Bonds5

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide (PubChem CID 1313347) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide
PubChem CID1313347
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClFN2O3/c1-28-19-12-13(24-21(27)15-7-3-5-9-17(15)23)10-11-18(19)25-20(26)14-6-2-4-8-16(14)22/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyAEKQGQZMSUKLFK-UHFFFAOYSA-N
XLogP4.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide (CID 1313347) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide is COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide?
The InChIKey is AEKQGQZMSUKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c1-28-19-12-13(24-21(27)15-7-3-5-9-17(15)23)10-11-18(19)25-20(26)14-6-2-4-8-16(14)22/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide has a molecular weight of 398.82 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-fluorobenzamide is sourced from PubChem (CID 1313347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).