N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide

C27H24ClNO5 — CID 46303374

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
SMILESCCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C27H24ClNO5/c1-4-22(27(31)29-18-12-9-16(2)21(28)15-18)33-26-24(30)20-7-5-6-8-23(20)34-25(26)17-10-13-19(32-3)14-11-17/h5-15,22H,4H2,1-3H3,(H,29,31)
InChIKeyLLNSVNWDICXEAZ-UHFFFAOYSA-N
MW477.94 g/mol
LogP6.23
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide (PubChem CID 46303374) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
PubChem CID46303374
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
SMILESCCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C27H24ClNO5/c1-4-22(27(31)29-18-12-9-16(2)21(28)15-18)33-26-24(30)20-7-5-6-8-23(20)34-25(26)17-10-13-19(32-3)14-11-17/h5-15,22H,4H2,1-3H3,(H,29,31)
InChIKeyLLNSVNWDICXEAZ-UHFFFAOYSA-N
XLogP6.23
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)butanamide
CID 46303370
2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
CID 46302984
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chlorophenyl)butanamide
CID 46303143
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)butanamide
CID 46303153
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenylchromen-3-yl)oxybutanamide
CID 46302988
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303446
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide (CID 46303374) is N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide is CCC(Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide?
The InChIKey is LLNSVNWDICXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO5/c1-4-22(27(31)29-18-12-9-16(2)21(28)15-18)33-26-24(30)20-7-5-6-8-23(20)34-25(26)17-10-13-19(32-3)14-11-17/h5-15,22H,4H2,1-3H3,(H,29,31).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide?
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide has a molecular weight of 477.94 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide is sourced from PubChem (CID 46303374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).