N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide

C17H16ClFN2O4 — CID 86948926

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESCC(C)(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-17(2,14-8-3-11(19)9-15(14)18)20-16(22)10-25-13-6-4-12(5-7-13)21(23)24/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeySMTYLTHKQDRTPV-UHFFFAOYSA-N
MW366.78 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 86948926) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID86948926
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESCC(C)(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-17(2,14-8-3-11(19)9-15(14)18)20-16(22)10-25-13-6-4-12(5-7-13)21(23)24/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeySMTYLTHKQDRTPV-UHFFFAOYSA-N
XLogP3.82
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.82
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

N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 115869814
2-methyl-2-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid
CID 79789555
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
CID 17356770
4-[2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 86948999
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
3-bromo-4-tert-butyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 3401535
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide (CID 86948926) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide is CC(C)(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is SMTYLTHKQDRTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-17(2,14-8-3-11(19)9-15(14)18)20-16(22)10-25-13-6-4-12(5-7-13)21(23)24/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 366.78 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 86948926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).