N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide

C14H19ClN2O3 — CID 63556620

IUPACN-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C14H19ClN2O3/c15-10-3-4-13(12(16)8-10)17-14(18)2-1-6-20-11-5-7-19-9-11/h3-4,8,11H,1-2,5-7,9,16H2,(H,17,18)
InChIKeyGOZNVNDCOQQSGH-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.45
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide

N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide (PubChem CID 63556620) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
PubChem CID63556620
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C14H19ClN2O3/c15-10-3-4-13(12(16)8-10)17-14(18)2-1-6-20-11-5-7-19-9-11/h3-4,8,11H,1-2,5-7,9,16H2,(H,17,18)
InChIKeyGOZNVNDCOQQSGH-UHFFFAOYSA-N
XLogP2.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide (CID 63556620) is N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide is Nc1cc(Cl)ccc1NC(=O)CCCOC1CCOC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The InChIKey is GOZNVNDCOQQSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-10-3-4-13(12(16)8-10)17-14(18)2-1-6-20-11-5-7-19-9-11/h3-4,8,11H,1-2,5-7,9,16H2,(H,17,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide?
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide has a molecular weight of 298.77 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide is sourced from PubChem (CID 63556620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).