2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone

C18H14N2O3 — CID 21230995

IUPAC2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone
SMILESO=C(CNc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N2O3/c21-18(14-6-9-17(10-7-14)20(22)23)12-19-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2
InChIKeyJOTSKQSASFHKRZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.04
Rot. Bonds5

About 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone

2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone (PubChem CID 21230995) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone
PubChem CID21230995
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone
SMILESO=C(CNc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N2O3/c21-18(14-6-9-17(10-7-14)20(22)23)12-19-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2
InChIKeyJOTSKQSASFHKRZ-UHFFFAOYSA-N
XLogP4.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzoylanilino)-1-(4-nitrophenyl)ethanone
CID 110824996
1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone
CID 19824345
2-[3-(1,3-benzothiazol-2-yl)anilino]-1-(4-nitrophenyl)ethanone
CID 110830164
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
(2-naphthalen-2-yl-2-oxoethyl) 4-(4-nitroanilino)-4-oxobutanoate
CID 2935824
1-(4-nitrophenyl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 110824973
2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308928
[2-methoxy-4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6282018
2-(naphthalen-2-ylamino)acetyl cyanide
CID 100819015
[2-(4-nitrophenyl)-2-oxoethyl]carbamic acid
CID 151942284
1-(3-fluoro-4-methoxyphenyl)-2-(4-nitroanilino)ethanone
CID 110823681
2-(3-chloro-4-nitroanilino)-1-(4-methoxyphenyl)ethanone
CID 110823671

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone (CID 21230995) is 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone is O=C(CNc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone?
The InChIKey is JOTSKQSASFHKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(14-6-9-17(10-7-14)20(22)23)12-19-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2.
What are the key properties of 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone?
2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone has a molecular weight of 306.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 21230995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).