4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide

C17H19ClN2O2 — CID 84552445

IUPAC4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C17H19ClN2O2/c1-12-11-13(18)8-9-15(12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeySMLDDCQYDCWTCZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.03
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide

4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide (PubChem CID 84552445) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
PubChem CID84552445
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C17H19ClN2O2/c1-12-11-13(18)8-9-15(12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeySMLDDCQYDCWTCZ-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
CID 84551755

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide (CID 84552445) is 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide is Cc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
The InChIKey is SMLDDCQYDCWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-11-13(18)8-9-15(12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide?
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide has a molecular weight of 318.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 84552445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).