4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

C19H17N3O2 — CID 46633439

IUPAC4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c20-19(24)14-8-10-15(11-9-14)22-18(23)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H2,20,24)(H,22,23)
InChIKeyBXYNJRCCEUKISZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.99
Rot. Bonds5

About 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (PubChem CID 46633439) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
PubChem CID46633439
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c20-19(24)14-8-10-15(11-9-14)22-18(23)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H2,20,24)(H,22,23)
InChIKeyBXYNJRCCEUKISZ-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
CID 46511009
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
N-[4-(2-methylpropoxy)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 54809414
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (CID 46633439) is 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The InChIKey is BXYNJRCCEUKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-19(24)14-8-10-15(11-9-14)22-18(23)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H,12H2,(H2,20,24)(H,22,23).
What are the key properties of 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 46633439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).