2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide

C22H17ClN2O5 — CID 18107823

IUPAC2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C22H17ClN2O5/c1-14(22(27)24-20-13-17(25(28)29)9-12-19(20)23)30-18-10-7-16(8-11-18)21(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,27)
InChIKeyAANXHUYRKJMNLA-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide

2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide (PubChem CID 18107823) has the molecular formula C22H17ClN2O5 and a molecular weight of 424.84 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
PubChem CID18107823
Molecular FormulaC22H17ClN2O5
Molecular Weight424.84 g/mol
Exact Mass424.08
IUPAC Name2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C22H17ClN2O5/c1-14(22(27)24-20-13-17(25(28)29)9-12-19(20)23)30-18-10-7-16(8-11-18)21(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,27)
InChIKeyAANXHUYRKJMNLA-UHFFFAOYSA-N
XLogP4.89
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
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

(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(4-benzoylphenyl) 2-(4-nitrophenoxy)propanoate
CID 43910938
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 18075891
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide (CID 18107823) is 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide is CC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The InChIKey is AANXHUYRKJMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O5/c1-14(22(27)24-20-13-17(25(28)29)9-12-19(20)23)30-18-10-7-16(8-11-18)21(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,27).
What are the key properties of 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide has a molecular weight of 424.84 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide is sourced from PubChem (CID 18107823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).