4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide

C12H15Cl2NO2 — CID 82109522

IUPAC4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
SMILESO=C(CCCCl)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO2/c13-7-1-2-12(16)15-8-9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyBDUVCKRQZDDUTM-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.85
Rot. Bonds7

About 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide

4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide (PubChem CID 82109522) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
PubChem CID82109522
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
SMILESO=C(CCCCl)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO2/c13-7-1-2-12(16)15-8-9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyBDUVCKRQZDDUTM-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.85
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

4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide
CID 31975278
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide (CID 82109522) is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide is O=C(CCCCl)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide?
The InChIKey is BDUVCKRQZDDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-7-1-2-12(16)15-8-9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16).
What are the key properties of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide?
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide has a molecular weight of 276.16 g/mol, XLogP of 2.85, 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-(4-chlorophenoxy)ethyl]butanamide is sourced from PubChem (CID 82109522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).