(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide

C18H17Cl2NO4 — CID 8009455

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(19)9-14(15)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeySZCCHGQZVQSERF-NSHDSACASA-N
MW382.24 g/mol
LogP4.61
Rot. Bonds7

About (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide

(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide (PubChem CID 8009455) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
PubChem CID8009455
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(19)9-14(15)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeySZCCHGQZVQSERF-NSHDSACASA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.61
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-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 16544203
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7993037
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 42985001
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide (CID 8009455) is (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide is CCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
The InChIKey is SZCCHGQZVQSERF-NSHDSACASA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-3-24-17-8-12(10-22)4-7-16(17)25-11(2)18(23)21-15-6-5-13(19)9-14(15)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide?
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide has a molecular weight of 382.24 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide is sourced from PubChem (CID 8009455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).