N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide

C19H15NO3 — CID 169334090

IUPACN-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(C=O)o2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-13-11-15(18-10-8-16(12-21)23-18)7-9-17(13)20-19(22)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)
InChIKeyXHDKZDDXLBCBLN-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide

N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide (PubChem CID 169334090) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
PubChem CID169334090
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC NameN-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(C=O)o2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-13-11-15(18-10-8-16(12-21)23-18)7-9-17(13)20-19(22)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)
InChIKeyXHDKZDDXLBCBLN-UHFFFAOYSA-N
XLogP4.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.32
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

N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
CID 169332496
N-(5-formylfuran-2-yl)benzamide
CID 101198760
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
3-[4-(5-formylfuran-2-yl)phenyl]benzoic acid
CID 169334403
N-[4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]benzamide
CID 17117580
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide (CID 169334090) is N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide is Cc1cc(-c2ccc(C=O)o2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide?
The InChIKey is XHDKZDDXLBCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-11-15(18-10-8-16(12-21)23-18)7-9-17(13)20-19(22)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22).
What are the key properties of N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide?
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide has a molecular weight of 305.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 169334090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).