N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide

C22H25Cl2NO4 — CID 57000911

IUPACN-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide
SMILESCOc1ccc(CCOc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc1
InChIInChI=1S/C22H25Cl2NO4/c1-15(26)25-20-14-22(18(13-19(20)24)21(27)5-3-4-11-23)29-12-10-16-6-8-17(28-2)9-7-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,26)
InChIKeyNDOGSHSPPDSGJU-UHFFFAOYSA-N
MW438.35 g/mol
LogP5.52
Rot. Bonds11

About N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide

N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide (PubChem CID 57000911) has the molecular formula C22H25Cl2NO4 and a molecular weight of 438.35 g/mol. Its IUPAC name is N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide
PubChem CID57000911
Molecular FormulaC22H25Cl2NO4
Molecular Weight438.35 g/mol
Exact Mass437.12
IUPAC NameN-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide
SMILESCOc1ccc(CCOc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc1
InChIInChI=1S/C22H25Cl2NO4/c1-15(26)25-20-14-22(18(13-19(20)24)21(27)5-3-4-11-23)29-12-10-16-6-8-17(28-2)9-7-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,26)
InChIKeyNDOGSHSPPDSGJU-UHFFFAOYSA-N
XLogP5.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-chloro-1-(2-chloro-5-methoxyphenyl)pentan-1-one
CID 146009620
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]benzoic acid
CID 22052474
methyl 4-acetamido-2-butoxy-5-[(4-methoxyphenyl)methylamino]benzoate
CID 154637702
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17257164
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide (CID 57000911) is N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide is COc1ccc(CCOc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc1.
What is the InChIKey of N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide?
The InChIKey is NDOGSHSPPDSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO4/c1-15(26)25-20-14-22(18(13-19(20)24)21(27)5-3-4-11-23)29-12-10-16-6-8-17(28-2)9-7-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,26).
What are the key properties of N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide?
N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide has a molecular weight of 438.35 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(5-chloropentanoyl)-5-[2-(4-methoxyphenyl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 57000911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).