N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide

C17H17ClN2O4 — CID 38702446

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide
SMILESC[C@@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-12(13-2-4-14(18)5-3-13)19-17(21)10-11-24-16-8-6-15(7-9-16)20(22)23/h2-9,12H,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyVSGRGUOWVSQSHW-GFCCVEGCSA-N
MW348.79 g/mol
LogP3.89
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide (PubChem CID 38702446) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide
PubChem CID38702446
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide
SMILESC[C@@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-12(13-2-4-14(18)5-3-13)19-17(21)10-11-24-16-8-6-15(7-9-16)20(22)23/h2-9,12H,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyVSGRGUOWVSQSHW-GFCCVEGCSA-N
XLogP3.89
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.89
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'}

Analyze N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-nitrobenzamide
CID 46763777
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770587

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide (CID 38702446) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide is C[C@@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide?
The InChIKey is VSGRGUOWVSQSHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-12(13-2-4-14(18)5-3-13)19-17(21)10-11-24-16-8-6-15(7-9-16)20(22)23/h2-9,12H,10-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide has a molecular weight of 348.79 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 38702446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).