3-[(naphthalen-2-ylamino)methyl]benzamide

C18H16N2O — CID 43533069

IUPAC3-[(naphthalen-2-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O/c19-18(21)16-7-3-4-13(10-16)12-20-17-9-8-14-5-1-2-6-15(14)11-17/h1-11,20H,12H2,(H2,19,21)
InChIKeyDXFILSCVCQMZCD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.55
Rot. Bonds4

About 3-[(naphthalen-2-ylamino)methyl]benzamide

3-[(naphthalen-2-ylamino)methyl]benzamide (PubChem CID 43533069) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(naphthalen-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(naphthalen-2-ylamino)methyl]benzamide
PubChem CID43533069
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-[(naphthalen-2-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O/c19-18(21)16-7-3-4-13(10-16)12-20-17-9-8-14-5-1-2-6-15(14)11-17/h1-11,20H,12H2,(H2,19,21)
InChIKeyDXFILSCVCQMZCD-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

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CID 115212943
3-[(naphthalen-2-ylamino)methyl]phenol
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3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 63277343
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(3-cyanoanilino)methyl]benzamide
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3-[[3-(trifluoromethyl)anilino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(naphthalen-2-ylamino)methyl]benzamide?
The IUPAC name of 3-[(naphthalen-2-ylamino)methyl]benzamide (CID 43533069) is 3-[(naphthalen-2-ylamino)methyl]benzamide.
What is the SMILES notation for 3-[(naphthalen-2-ylamino)methyl]benzamide?
The canonical SMILES for 3-[(naphthalen-2-ylamino)methyl]benzamide is NC(=O)c1cccc(CNc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[(naphthalen-2-ylamino)methyl]benzamide?
The InChIKey is DXFILSCVCQMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-18(21)16-7-3-4-13(10-16)12-20-17-9-8-14-5-1-2-6-15(14)11-17/h1-11,20H,12H2,(H2,19,21).
What are the key properties of 3-[(naphthalen-2-ylamino)methyl]benzamide?
3-[(naphthalen-2-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 3-[(naphthalen-2-ylamino)methyl]benzamide is sourced from PubChem (CID 43533069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).