2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H12ClF3N2O5 — CID 18281666

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O5/c1-9(26-14-7-4-11(22(24)25)8-13(14)17)15(23)21-10-2-5-12(6-3-10)27-16(18,19)20/h2-9H,1H3,(H,21,23)
InChIKeyDKYWASNJXMLEKN-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.55
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 18281666) has the molecular formula C16H12ClF3N2O5 and a molecular weight of 404.73 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID18281666
Molecular FormulaC16H12ClF3N2O5
Molecular Weight404.73 g/mol
Exact Mass404.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O5/c1-9(26-14-7-4-11(22(24)25)8-13(14)17)15(23)21-10-2-5-12(6-3-10)27-16(18,19)20/h2-9H,1H3,(H,21,23)
InChIKeyDKYWASNJXMLEKN-UHFFFAOYSA-N
XLogP4.55
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.55
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)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-chloro-4-nitrophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 8956824
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 18281666) is 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DKYWASNJXMLEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O5/c1-9(26-14-7-4-11(22(24)25)8-13(14)17)15(23)21-10-2-5-12(6-3-10)27-16(18,19)20/h2-9H,1H3,(H,21,23).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 404.73 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 18281666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).