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

C22H19ClN2O3 — CID 4674584

IUPAC3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-15-5-11-20(12-6-15)28-14-21(26)24-18-7-9-19(10-8-18)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyOMLUBDWKDPMLMO-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.92
Rot. Bonds6

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

3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 4674584) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID4674584
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-15-5-11-20(12-6-15)28-14-21(26)24-18-7-9-19(10-8-18)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyOMLUBDWKDPMLMO-UHFFFAOYSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (CID 4674584) is 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is OMLUBDWKDPMLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-5-11-20(12-6-15)28-14-21(26)24-18-7-9-19(10-8-18)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 4674584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).