N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide

C15H22ClNO2 — CID 114304648

IUPACN-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCCC(CC)(CCl)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,11-16)17-14(18)10-12-8-6-7-9-13(12)19-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyMYTZZMGIFNDLRQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.15
Rot. Bonds7

About N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide

N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 114304648) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID114304648
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
SMILESCCC(CC)(CCl)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,11-16)17-14(18)10-12-8-6-7-9-13(12)19-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyMYTZZMGIFNDLRQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-(2-chlorophenyl)acetamide
CID 114010841
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-[3-(chloromethyl)pentan-3-yl]-2-ethylbenzamide
CID 114304484
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
CID 99777935
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide (CID 114304648) is N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide is CCC(CC)(CCl)NC(=O)Cc1ccccc1OC.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is MYTZZMGIFNDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-15(5-2,11-16)17-14(18)10-12-8-6-7-9-13(12)19-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide?
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 114304648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).