(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide

C18H17ClFNO4 — CID 8009841

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(20)9-14(15)19/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyMQCASELBELCURT-NSHDSACASA-N
MW365.79 g/mol
LogP4.10
Rot. Bonds7

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide (PubChem CID 8009841) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
PubChem CID8009841
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(20)9-14(15)19/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyMQCASELBELCURT-NSHDSACASA-N
XLogP4.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753468
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 42972297
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide (CID 8009841) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide is CCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The InChIKey is MQCASELBELCURT-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClFNO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(20)9-14(15)19/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide has a molecular weight of 365.79 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide is sourced from PubChem (CID 8009841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).