4-[(naphthalen-1-ylamino)methyl]benzamide

C18H16N2O — CID 25344267

IUPAC4-[(naphthalen-1-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O/c19-18(21)15-10-8-13(9-11-15)12-20-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,20H,12H2,(H2,19,21)
InChIKeyKHPVJENWEPWNOS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.55
Rot. Bonds4

About 4-[(naphthalen-1-ylamino)methyl]benzamide

4-[(naphthalen-1-ylamino)methyl]benzamide (PubChem CID 25344267) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(naphthalen-1-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(naphthalen-1-ylamino)methyl]benzamide
PubChem CID25344267
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-[(naphthalen-1-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O/c19-18(21)15-10-8-13(9-11-15)12-20-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,20H,12H2,(H2,19,21)
InChIKeyKHPVJENWEPWNOS-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-ethylanilino)methyl]benzamide
CID 28583374
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
4-[(2-ethylsulfanylanilino)methyl]benzamide
CID 60936340
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-[(3-methylanilino)methyl]benzamide
CID 28564307
naphthalen-1-ylurea;hydrochloride
CID 141142203
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-1-ylamino)methyl]benzamide?
The IUPAC name of 4-[(naphthalen-1-ylamino)methyl]benzamide (CID 25344267) is 4-[(naphthalen-1-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(naphthalen-1-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(naphthalen-1-ylamino)methyl]benzamide is NC(=O)c1ccc(CNc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(naphthalen-1-ylamino)methyl]benzamide?
The InChIKey is KHPVJENWEPWNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-18(21)15-10-8-13(9-11-15)12-20-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,20H,12H2,(H2,19,21).
What are the key properties of 4-[(naphthalen-1-ylamino)methyl]benzamide?
4-[(naphthalen-1-ylamino)methyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-1-ylamino)methyl]benzamide is sourced from PubChem (CID 25344267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).