4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide

C15H20ClNO3 — CID 99798338

IUPAC4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-2-19-14-10-13(14)17-15(18)4-3-9-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyKGKOISARDCIUNU-UONOGXRCSA-N
MW297.78 g/mol
LogP2.79
Rot. Bonds8

About 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide

4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide (PubChem CID 99798338) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide
PubChem CID99798338
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-2-19-14-10-13(14)17-15(18)4-3-9-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3,(H,17,18)/t13-,14+/m0/s1
InChIKeyKGKOISARDCIUNU-UONOGXRCSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2-(4-chlorophenoxy)acetamide
CID 66195499
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide
CID 137400296
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
CID 137399683
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide (CID 99798338) is 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide is CCO[C@@H]1C[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide?
The InChIKey is KGKOISARDCIUNU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-19-14-10-13(14)17-15(18)4-3-9-20-12-7-5-11(16)6-8-12/h5-8,13-14H,2-4,9-10H2,1H3,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide?
4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide has a molecular weight of 297.78 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide is sourced from PubChem (CID 99798338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).