N-[4-(3-chloropropoxy)phenyl]acetamide

C11H14ClNO2 — CID 5147668

IUPACN-[4-(3-chloropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCCl)cc1
InChIInChI=1S/C11H14ClNO2/c1-9(14)13-10-3-5-11(6-4-10)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyXIULNVXCBVMTDH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(3-chloropropoxy)phenyl]acetamide

N-[4-(3-chloropropoxy)phenyl]acetamide (PubChem CID 5147668) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[4-(3-chloropropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloropropoxy)phenyl]acetamide
PubChem CID5147668
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[4-(3-chloropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCCl)cc1
InChIInChI=1S/C11H14ClNO2/c1-9(14)13-10-3-5-11(6-4-10)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyXIULNVXCBVMTDH-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
CID 159718269
N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide
CID 77051372
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
CID 70416182
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropropoxy)phenyl]acetamide?
The IUPAC name of N-[4-(3-chloropropoxy)phenyl]acetamide (CID 5147668) is N-[4-(3-chloropropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-chloropropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(3-chloropropoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCCCCl)cc1.
What is the InChIKey of N-[4-(3-chloropropoxy)phenyl]acetamide?
The InChIKey is XIULNVXCBVMTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-9(14)13-10-3-5-11(6-4-10)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-[4-(3-chloropropoxy)phenyl]acetamide?
N-[4-(3-chloropropoxy)phenyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropropoxy)phenyl]acetamide is sourced from PubChem (CID 5147668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).