N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide

C19H18N2O2 — CID 112981783

IUPACN-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-5-2-3-7-18(14)19(22)21-16-10-8-15(9-11-16)20-13-17-6-4-12-23-17/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyIBGVIROSOVQRFZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.45
Rot. Bonds5

About N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide

N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide (PubChem CID 112981783) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
PubChem CID112981783
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C19H18N2O2/c1-14-5-2-3-7-18(14)19(22)21-16-10-8-15(9-11-16)20-13-17-6-4-12-23-17/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyIBGVIROSOVQRFZ-UHFFFAOYSA-N
XLogP4.45
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 28638553
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
2-(2-bromophenyl)-N-[4-(furan-2-ylmethylamino)phenyl]acetamide
CID 112981838
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
CID 112980901
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
CID 110345848
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide (CID 112981783) is N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide?
The InChIKey is IBGVIROSOVQRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-5-2-3-7-18(14)19(22)21-16-10-8-15(9-11-16)20-13-17-6-4-12-23-17/h2-12,20H,13H2,1H3,(H,21,22).
What are the key properties of N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide?
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 112981783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).