2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide

C13H18ClNO3 — CID 82109640

IUPAC2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cc(OC)ccc1CNC(=O)CCl
InChIInChI=1S/C13H18ClNO3/c1-3-6-18-12-7-11(17-2)5-4-10(12)9-15-13(16)8-14/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeyBOIGWQQRORBVQZ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.34
Rot. Bonds7

About 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide

2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide (PubChem CID 82109640) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide
PubChem CID82109640
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cc(OC)ccc1CNC(=O)CCl
InChIInChI=1S/C13H18ClNO3/c1-3-6-18-12-7-11(17-2)5-4-10(12)9-15-13(16)8-14/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeyBOIGWQQRORBVQZ-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
4-[[2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 22681936
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide (CID 82109640) is 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide is CCCOc1cc(OC)ccc1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide?
The InChIKey is BOIGWQQRORBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-6-18-12-7-11(17-2)5-4-10(12)9-15-13(16)8-14/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide?
2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide has a molecular weight of 271.74 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 82109640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).