4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide

C18H20ClNO2 — CID 2790654

IUPAC4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-14(15-6-3-2-4-7-15)20-18(21)8-5-13-22-17-11-9-16(19)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)
InChIKeyJDEZFNQOUZSGDO-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.38
Rot. Bonds7

About 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide

4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide (PubChem CID 2790654) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide
PubChem CID2790654
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-14(15-6-3-2-4-7-15)20-18(21)8-5-13-22-17-11-9-16(19)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)
InChIKeyJDEZFNQOUZSGDO-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
(S)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 10087289
(R)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 23625205
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
N-cyclohexyl-4-(3-methylphenoxy)butanamide
CID 1565322
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
4-phenoxy-N-(2-phenylethyl)butanamide
CID 1570021
1-(2-(4-chlorophenoxy)phenyl)-N-methylethanamine
CID 9834987
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 15983558
N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
CID 595570
N-cyclohexyl-4-(2-methylphenoxy)butanamide
CID 1564256

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide (CID 2790654) is 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide is CC(NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide?
The InChIKey is JDEZFNQOUZSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-14(15-6-3-2-4-7-15)20-18(21)8-5-13-22-17-11-9-16(19)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21).
What are the key properties of 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide?
4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 2790654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).