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

C18H19ClN2O4 — CID 7865822

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-16(13-6-4-12(2)5-7-13)20-18(22)11-25-17-9-8-14(21(23)24)10-15(17)19/h4-10,16H,3,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyVYFXODFSTWMOSM-INIZCTEOSA-N
MW362.81 g/mol
LogP4.20
Rot. Bonds7

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

2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 7865822) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
PubChem CID7865822
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-16(13-6-4-12(2)5-7-13)20-18(22)11-25-17-9-8-14(21(23)24)10-15(17)19/h4-10,16H,3,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyVYFXODFSTWMOSM-INIZCTEOSA-N
XLogP4.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.20
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

5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]furan-2-carboxamide
CID 19461861
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563411
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8563423
2-(2-chloro-4-nitrophenoxy)-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8587936
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (CID 7865822) is 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is VYFXODFSTWMOSM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-16(13-6-4-12(2)5-7-13)20-18(22)11-25-17-9-8-14(21(23)24)10-15(17)19/h4-10,16H,3,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 362.81 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 7865822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).