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

C23H21ClN2O4 — CID 31966118

IUPAC4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-29-18-12-9-16(21(14-18)30-2)13-22(27)25-19-5-3-4-6-20(19)26-23(28)15-7-10-17(24)11-8-15/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBUVQJSBDDQAPJV-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.79
Rot. Bonds7

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

4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide (PubChem CID 31966118) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
PubChem CID31966118
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-29-18-12-9-16(21(14-18)30-2)13-22(27)25-19-5-3-4-6-20(19)26-23(28)15-7-10-17(24)11-8-15/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBUVQJSBDDQAPJV-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 31967245
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55984704
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide (CID 31966118) is 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide is COc1ccc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide?
The InChIKey is BUVQJSBDDQAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-29-18-12-9-16(21(14-18)30-2)13-22(27)25-19-5-3-4-6-20(19)26-23(28)15-7-10-17(24)11-8-15/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide has a molecular weight of 424.88 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).