4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide

C24H22ClNO3 — CID 89092651

IUPAC4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
SMILESCC(C)Oc1ccc(-c2cccc(C=O)c2)cc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c1-16(2)29-23-11-8-20(19-5-3-4-17(12-19)15-27)13-21(23)14-26-24(28)18-6-9-22(25)10-7-18/h3-13,15-16H,14H2,1-2H3,(H,26,28)
InChIKeyBWOLKRHOCRZDBO-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.54
Rot. Bonds7

About 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide

4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide (PubChem CID 89092651) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
PubChem CID89092651
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
SMILESCC(C)Oc1ccc(-c2cccc(C=O)c2)cc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c1-16(2)29-23-11-8-20(19-5-3-4-17(12-19)15-27)13-21(23)14-26-24(28)18-6-9-22(25)10-7-18/h3-13,15-16H,14H2,1-2H3,(H,26,28)
InChIKeyBWOLKRHOCRZDBO-UHFFFAOYSA-N
XLogP5.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.54
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

2,4-dichloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
CID 89092727
2-chloro-N-[[5-(3-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]-4-propan-2-yloxybenzamide
CID 89092679
methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
CID 176548334
2-(2-chlorophenyl)-N-[[5-(3-formylphenyl)-2-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 89092829
2-[[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]methylidene]butanoic acid
CID 68634431
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
2-chloro-N-[[5-(3-formylphenyl)-2-hydroxyphenyl]methyl]-4-propoxybenzamide
CID 89092614
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
3-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 62033107
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
5-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-methoxybenzoic acid
CID 59219194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide (CID 89092651) is 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide is CC(C)Oc1ccc(-c2cccc(C=O)c2)cc1CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide?
The InChIKey is BWOLKRHOCRZDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-16(2)29-23-11-8-20(19-5-3-4-17(12-19)15-27)13-21(23)14-26-24(28)18-6-9-22(25)10-7-18/h3-13,15-16H,14H2,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide?
4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide has a molecular weight of 407.90 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide is sourced from PubChem (CID 89092651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).