6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide

C19H22ClNO2 — CID 142170629

IUPAC6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide
SMILESCOC(CCCCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-23-18(4-2-3-5-19(21)22)16-8-6-14(7-9-16)15-10-12-17(20)13-11-15/h6-13,18H,2-5H2,1H3,(H2,21,22)
InChIKeyGMPYPIZGZUVGOZ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.74
Rot. Bonds8

About 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide

6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide (PubChem CID 142170629) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide
PubChem CID142170629
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide
SMILESCOC(CCCCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-23-18(4-2-3-5-19(21)22)16-8-6-14(7-9-16)15-10-12-17(20)13-11-15/h6-13,18H,2-5H2,1H3,(H2,21,22)
InChIKeyGMPYPIZGZUVGOZ-UHFFFAOYSA-N
XLogP4.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.74
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

CID 76328259
CID 76328259
CID 68869455
CID 68869455
CID 69343095
CID 69343095
CID 69513560
CID 69513560
CID 90706905
CID 90706905
CID 124093995
CID 124093995
CID 124093996
CID 124093996
CID 124094001
CID 124094001
CID 169060457
CID 169060457
CID 49788451
CID 49788451
CID 9797738
CID 9797738
CID 9819038
CID 9819038

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide?
The IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide (CID 142170629) is 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide.
What is the SMILES notation for 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide?
The canonical SMILES for 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide is COC(CCCCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide?
The InChIKey is GMPYPIZGZUVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-23-18(4-2-3-5-19(21)22)16-8-6-14(7-9-16)15-10-12-17(20)13-11-15/h6-13,18H,2-5H2,1H3,(H2,21,22).
What are the key properties of 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide?
6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide has a molecular weight of 331.84 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)phenyl]-6-methoxyhexanamide is sourced from PubChem (CID 142170629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).