N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide

C19H22ClNO2 — CID 19207322

IUPACN-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)15-8-10-18(11-9-15)23-12-4-7-19(22)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,22)
InChIKeyCLXVKFFLISEUDX-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.26
Rot. Bonds7

About N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide

N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide (PubChem CID 19207322) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
PubChem CID19207322
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)15-8-10-18(11-9-15)23-12-4-7-19(22)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,22)
InChIKeyCLXVKFFLISEUDX-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.26
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-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
1-(3-chlorophenyl)-3-[4-(4-ethoxyphenoxy)butanoylamino]thiourea
CID 9480177
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide (CID 19207322) is N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide is CC(C)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The InChIKey is CLXVKFFLISEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(2)15-8-10-18(11-9-15)23-12-4-7-19(22)21-17-6-3-5-16(20)13-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide?
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 19207322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).