4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide

C18H20ClNO2 — CID 91244965

IUPAC4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide
SMILESCOC(C)(CCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(22-2,12-11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3,(H2,20,21)
InChIKeyFSQDRBKMARRIAW-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.13
Rot. Bonds6

About 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide

4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide (PubChem CID 91244965) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide
PubChem CID91244965
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide
SMILESCOC(C)(CCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(22-2,12-11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3,(H2,20,21)
InChIKeyFSQDRBKMARRIAW-UHFFFAOYSA-N
XLogP4.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869455
3-[3-Chloro-4-(2-methoxypropan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69513560
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
CID 90706905
(6R)-6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyhexanamide
CID 9797738
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyhexanamide
CID 9819038
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyoct-7-enamide
CID 9863670
2-[2-[4-(4-chlorophenyl)phenyl]-2-hydroxyethyl]-N-hydroxy-4-methylpentanamide
CID 9863762
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyheptanamide
CID 9906294
(6S)-6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyhexanamide
CID 9927632
4-[4-(4-chlorophenyl)phenyl]-N,4-dihydroxybutanamide
CID 9944350
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxy-2-methylhexanamide
CID 9946257
6-[4-(4-chlorophenyl)phenyl]-N-hydroxy-6-methoxyhexanamide
CID 9968148

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide (CID 91244965) is 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide is COC(C)(CCC(N)=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide?
The InChIKey is FSQDRBKMARRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-18(22-2,12-11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3,(H2,20,21).
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide?
4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide has a molecular weight of 317.82 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]-4-methoxypentanamide is sourced from PubChem (CID 91244965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).