N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide

C23H21ClN2O3 — CID 1344285

IUPACN-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1C
InChIInChI=1S/C23H21ClN2O3/c1-15-8-10-19(12-16(15)2)29-14-22(27)25-18-9-11-21(20(24)13-18)26-23(28)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPXFSFLPJCXNYKK-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.23
Rot. Bonds6

About N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide

N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1344285) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1344285
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1C
InChIInChI=1S/C23H21ClN2O3/c1-15-8-10-19(12-16(15)2)29-14-22(27)25-18-9-11-21(20(24)13-18)26-23(28)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPXFSFLPJCXNYKK-UHFFFAOYSA-N
XLogP5.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 1344285) is N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1C.
What is the InChIKey of N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is PXFSFLPJCXNYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-8-10-19(12-16(15)2)29-14-22(27)25-18-9-11-21(20(24)13-18)26-23(28)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).