N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide

C17H18ClNO2 — CID 2709974

IUPACN-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-13-7-9-16(10-8-13)21-11-3-6-17(20)19-15-5-2-4-14(18)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,20)
InChIKeyFIRLAKVMNZHJMY-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.45
Rot. Bonds6

About N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide

N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide (PubChem CID 2709974) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
PubChem CID2709974
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-13-7-9-16(10-8-13)21-11-3-6-17(20)19-15-5-2-4-14(18)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,20)
InChIKeyFIRLAKVMNZHJMY-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.45
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-propan-2-ylphenoxy)butanamide
CID 19207322
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933281
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
butyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 19173477
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
1-(3-chlorophenyl)-3-[4-(4-ethoxyphenoxy)butanoylamino]thiourea
CID 9480177

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide (CID 2709974) is N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is FIRLAKVMNZHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13-7-9-16(10-8-13)21-11-3-6-17(20)19-15-5-2-4-14(18)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide?
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.45, 6 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-methylphenoxy)butanamide is sourced from PubChem (CID 2709974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).