N-butyl-2-(3-chlorophenoxy)acetamide

C12H16ClNO2 — CID 19168596

IUPACN-butyl-2-(3-chlorophenoxy)acetamide
SMILESCCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-3-7-14-12(15)9-16-11-6-4-5-10(13)8-11/h4-6,8H,2-3,7,9H2,1H3,(H,14,15)
InChIKeyKBSNMPQVBXUASB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.64
Rot. Bonds6

About N-butyl-2-(3-chlorophenoxy)acetamide

N-butyl-2-(3-chlorophenoxy)acetamide (PubChem CID 19168596) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-butyl-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-chlorophenoxy)acetamide
PubChem CID19168596
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-butyl-2-(3-chlorophenoxy)acetamide
SMILESCCCCNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-2-3-7-14-12(15)9-16-11-6-4-5-10(13)8-11/h4-6,8H,2-3,7,9H2,1H3,(H,14,15)
InChIKeyKBSNMPQVBXUASB-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.64
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

2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-butyl-2-(3-chlorophenoxy)acetamide (CID 19168596) is N-butyl-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-butyl-2-(3-chlorophenoxy)acetamide is CCCCNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of N-butyl-2-(3-chlorophenoxy)acetamide?
The InChIKey is KBSNMPQVBXUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-3-7-14-12(15)9-16-11-6-4-5-10(13)8-11/h4-6,8H,2-3,7,9H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-(3-chlorophenoxy)acetamide?
N-butyl-2-(3-chlorophenoxy)acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 19168596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).