2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide

C22H16Cl2FNO3 — CID 89092722

IUPAC2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C=O)c2F)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2FNO3/c1-29-20-8-5-13(17-4-2-3-14(12-27)21(17)25)9-15(20)11-26-22(28)18-7-6-16(23)10-19(18)24/h2-10,12H,11H2,1H3,(H,26,28)
InChIKeyWTGGOCTYMVQPDC-UHFFFAOYSA-N
MW432.28 g/mol
LogP5.55
Rot. Bonds6

About 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide

2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide (PubChem CID 89092722) has the molecular formula C22H16Cl2FNO3 and a molecular weight of 432.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
PubChem CID89092722
Molecular FormulaC22H16Cl2FNO3
Molecular Weight432.28 g/mol
Exact Mass431.05
IUPAC Name2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C=O)c2F)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2FNO3/c1-29-20-8-5-13(17-4-2-3-14(12-27)21(17)25)9-15(20)11-26-22(28)18-7-6-16(23)10-19(18)24/h2-10,12H,11H2,1H3,(H,26,28)
InChIKeyWTGGOCTYMVQPDC-UHFFFAOYSA-N
XLogP5.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219006
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764
2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
CID 59219274
3-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219284
3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
CID 59219280
2-[[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]methylidene]butanoic acid
CID 68634431
2,4-dichloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
CID 89092727
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 89092678
2-chloro-N-[[5-(3-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]-4-propan-2-yloxybenzamide
CID 89092679

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide (CID 89092722) is 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide is COc1ccc(-c2cccc(C=O)c2F)cc1CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide?
The InChIKey is WTGGOCTYMVQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO3/c1-29-20-8-5-13(17-4-2-3-14(12-27)21(17)25)9-15(20)11-26-22(28)18-7-6-16(23)10-19(18)24/h2-10,12H,11H2,1H3,(H,26,28).
What are the key properties of 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide?
2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide has a molecular weight of 432.28 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 89092722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).