N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide

C27H21NO4 — CID 144619659

IUPACN-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide
SMILESO=Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C27H21NO4/c29-19-22-17-23(13-16-26(22)30)28(18-20-7-3-1-4-8-20)27(31)21-11-14-25(15-12-21)32-24-9-5-2-6-10-24/h1-17,19,30H,18H2
InChIKeyJKFRKRYSNZVMPA-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.84
Rot. Bonds7

About N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide

N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide (PubChem CID 144619659) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide
PubChem CID144619659
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC NameN-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide
SMILESO=Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C27H21NO4/c29-19-22-17-23(13-16-26(22)30)28(18-20-7-3-1-4-8-20)27(31)21-11-14-25(15-12-21)32-24-9-5-2-6-10-24/h1-17,19,30H,18H2
InChIKeyJKFRKRYSNZVMPA-UHFFFAOYSA-N
XLogP5.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
CID 144619655
5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
CID 74221821
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
CID 144619615
methyl 5-[(4-bromophenyl)methyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoate
CID 118365840
2-hydroxy-5-[(3-methoxy-4-methylphenyl)methyl-(4-phenoxybenzoyl)amino]benzoic acid
CID 118370961
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
2-hydroxy-5-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl-[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 11433372
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide?
The IUPAC name of N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide (CID 144619659) is N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide?
The canonical SMILES for N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide is O=Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O.
What is the InChIKey of N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide?
The InChIKey is JKFRKRYSNZVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4/c29-19-22-17-23(13-16-26(22)30)28(18-20-7-3-1-4-8-20)27(31)21-11-14-25(15-12-21)32-24-9-5-2-6-10-24/h1-17,19,30H,18H2.
What are the key properties of N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide?
N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide has a molecular weight of 423.47 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide is sourced from PubChem (CID 144619659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).