(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

C16H14ClFN2O5 — CID 2631758

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClFN2O5/c1-9(25-15-8-11(18)4-5-13(15)20(22)23)16(21)19-12-7-10(17)3-6-14(12)24-2/h3-9H,1-2H3,(H,19,21)/t9-/m0/s1
InChIKeySNQUKKLWFUKYCZ-VIFPVBQESA-N
MW368.75 g/mol
LogP3.80
Rot. Bonds6

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (PubChem CID 2631758) has the molecular formula C16H14ClFN2O5 and a molecular weight of 368.75 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
PubChem CID2631758
Molecular FormulaC16H14ClFN2O5
Molecular Weight368.75 g/mol
Exact Mass368.06
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClFN2O5/c1-9(25-15-8-11(18)4-5-13(15)20(22)23)16(21)19-12-7-10(17)3-6-14(12)24-2/h3-9H,1-2H3,(H,19,21)/t9-/m0/s1
InChIKeySNQUKKLWFUKYCZ-VIFPVBQESA-N
XLogP3.80
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 53.80
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

2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 78760052

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (CID 2631758) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The InChIKey is SNQUKKLWFUKYCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClFN2O5/c1-9(25-15-8-11(18)4-5-13(15)20(22)23)16(21)19-12-7-10(17)3-6-14(12)24-2/h3-9H,1-2H3,(H,19,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide has a molecular weight of 368.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 2631758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).