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

C15H22ClNO2 — CID 110610239

IUPAC4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
SMILESCOCCCCNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-19-12-5-4-11-17-15(18)10-6-8-13-7-2-3-9-14(13)16/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,17,18)
InChIKeyYNKZLSCKZTVLQZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.21
Rot. Bonds9

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

4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide (PubChem CID 110610239) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
PubChem CID110610239
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
SMILESCOCCCCNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-19-12-5-4-11-17-15(18)10-6-8-13-7-2-3-9-14(13)16/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,17,18)
InChIKeyYNKZLSCKZTVLQZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.21
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-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
methyl 6-[3-(2-chlorophenyl)propanoylamino]hexanoate
CID 43404503
N-[4-(2-chlorophenyl)butyl]-3-methylsulfonylpropanamide
CID 110607257
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876817
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
4-(2-chlorophenyl)-N-(dimethoxyphosphinothioylsulfanylmethyl)butanamide
CID 88595925
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide (CID 110610239) is 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide is COCCCCNC(=O)CCCc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide?
The InChIKey is YNKZLSCKZTVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-19-12-5-4-11-17-15(18)10-6-8-13-7-2-3-9-14(13)16/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,17,18).
What are the key properties of 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide?
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide has a molecular weight of 283.80 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide is sourced from PubChem (CID 110610239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).