N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide

C17H18ClNO2 — CID 48980503

IUPACN-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-14-11-9-13(10-12-14)5-4-8-17(20)19-16-7-3-2-6-15(16)18/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,19,20)
InChIKeyPIUCMKNDDRIMDE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds6

About N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide

N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide (PubChem CID 48980503) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
PubChem CID48980503
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-14-11-9-13(10-12-14)5-4-8-17(20)19-16-7-3-2-6-15(16)18/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,19,20)
InChIKeyPIUCMKNDDRIMDE-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
N-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
CID 86788796
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
N-(2-chlorophenyl)hexanamide
CID 4644560
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110298279
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide (CID 48980503) is N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide?
The InChIKey is PIUCMKNDDRIMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-14-11-9-13(10-12-14)5-4-8-17(20)19-16-7-3-2-6-15(16)18/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide?
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 48980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).