4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide

C17H20ClNO2 — CID 3071634

IUPAC4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
SMILESCOc1ccc2cccc(CCNC(=O)CCCCl)c2c1
InChIInChI=1S/C17H20ClNO2/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-11-19-17(20)6-3-10-18/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,20)
InChIKeyUFSCDJCKUMWYAM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.53
Rot. Bonds7

About 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide

4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide (PubChem CID 3071634) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
PubChem CID3071634
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
SMILESCOc1ccc2cccc(CCNC(=O)CCCCl)c2c1
InChIInChI=1S/C17H20ClNO2/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-11-19-17(20)6-3-10-18/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,20)
InChIKeyUFSCDJCKUMWYAM-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide (CID 3071634) is 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide is COc1ccc2cccc(CCNC(=O)CCCCl)c2c1.
What is the InChIKey of 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
The InChIKey is UFSCDJCKUMWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-11-19-17(20)6-3-10-18/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide?
4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide has a molecular weight of 305.81 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide is sourced from PubChem (CID 3071634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).