N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide

C22H19N3O5 — CID 55757498

IUPACN-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1
InChIInChI=1S/C22H19N3O5/c1-2-23-21(26)15-7-6-8-16(13-15)24-22(27)19-14-17(25(28)29)11-12-20(19)30-18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H,23,26)(H,24,27)
InChIKeyGJBZSUMPDXPVCD-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.39
Rot. Bonds7

About N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide

N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide (PubChem CID 55757498) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
PubChem CID55757498
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1
InChIInChI=1S/C22H19N3O5/c1-2-23-21(26)15-7-6-8-16(13-15)24-22(27)19-14-17(25(28)29)11-12-20(19)30-18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H,23,26)(H,24,27)
InChIKeyGJBZSUMPDXPVCD-UHFFFAOYSA-N
XLogP4.39
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate
CID 32569142
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 9008380
N-[3-(ethylcarbamoyl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17457023
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide
CID 122417902
5-nitro-2-phenoxybenzoyl chloride
CID 21406549

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide (CID 55757498) is N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide is CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide?
The InChIKey is GJBZSUMPDXPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-2-23-21(26)15-7-6-8-16(13-15)24-22(27)19-14-17(25(28)29)11-12-20(19)30-18-9-4-3-5-10-18/h3-14H,2H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide?
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide has a molecular weight of 405.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide is sourced from PubChem (CID 55757498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).