N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide

C26H21N3O4 — CID 4940815

IUPACN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H21N3O4/c1-2-28(24-12-6-8-18-7-3-4-11-23(18)24)26(31)19-13-15-21(16-14-19)27-25(30)20-9-5-10-22(17-20)29(32)33/h3-17H,2H2,1H3,(H,27,30)
InChIKeyJLQDHECJXYUMPR-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.67
Rot. Bonds6

About N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide

N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide (PubChem CID 4940815) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
PubChem CID4940815
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H21N3O4/c1-2-28(24-12-6-8-18-7-3-4-11-23(18)24)26(31)19-13-15-21(16-14-19)27-25(30)20-9-5-10-22(17-20)29(32)33/h3-17H,2H2,1H3,(H,27,30)
InChIKeyJLQDHECJXYUMPR-UHFFFAOYSA-N
XLogP5.67
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.67
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

4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
3-nitro-N-(4-propylphenyl)benzamide
CID 8803025
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide (CID 4940815) is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide is CCN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide?
The InChIKey is JLQDHECJXYUMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-2-28(24-12-6-8-18-7-3-4-11-23(18)24)26(31)19-13-15-21(16-14-19)27-25(30)20-9-5-10-22(17-20)29(32)33/h3-17H,2H2,1H3,(H,27,30).
What are the key properties of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide?
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide has a molecular weight of 439.47 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 4940815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).