N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide

C18H20ClNO2 — CID 17095062

IUPACN-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-2-3-11-22-17-6-4-5-16(13-17)20-18(21)12-14-7-9-15(19)10-8-14/h4-10,13H,2-3,11-12H2,1H3,(H,20,21)
InChIKeyXAZQWLSKKHJKDO-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.70
Rot. Bonds7

About N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide

N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide (PubChem CID 17095062) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
PubChem CID17095062
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-2-3-11-22-17-6-4-5-16(13-17)20-18(21)12-14-7-9-15(19)10-8-14/h4-10,13H,2-3,11-12H2,1H3,(H,20,21)
InChIKeyXAZQWLSKKHJKDO-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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

2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382
3-butoxy-N-[2-(4-chlorophenyl)ethyl]aniline
CID 54800672
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877403
N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 54813009
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide (CID 17095062) is N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide is CCCCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is XAZQWLSKKHJKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-2-3-11-22-17-6-4-5-16(13-17)20-18(21)12-14-7-9-15(19)10-8-14/h4-10,13H,2-3,11-12H2,1H3,(H,20,21).
What are the key properties of N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide?
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 17095062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).