2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide

C16H15ClN2O4 — CID 7991131

IUPAC2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H15ClN2O4/c1-11(12-5-3-2-4-6-12)18-16(20)10-23-15-8-7-13(17)9-14(15)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyRQEKUKVWSMOATJ-NSHDSACASA-N
MW334.76 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide

2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7991131) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7991131
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H15ClN2O4/c1-11(12-5-3-2-4-6-12)18-16(20)10-23-15-8-7-13(17)9-14(15)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyRQEKUKVWSMOATJ-NSHDSACASA-N
XLogP3.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.50
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 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide 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

2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500586
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846282
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide
CID 43889255

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 7991131) is 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is RQEKUKVWSMOATJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-11(12-5-3-2-4-6-12)18-16(20)10-23-15-8-7-13(17)9-14(15)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 334.76 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7991131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).