N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide

C23H20ClNO4 — CID 19645150

IUPACN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(C)C(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C23H20ClNO4/c1-15(22(26)16-5-3-7-18(24)13-16)29-20-11-9-19(10-12-20)25-23(27)17-6-4-8-21(14-17)28-2/h3-15H,1-2H3,(H,25,27)
InChIKeyWWNLPUITRVKVFS-UHFFFAOYSA-N
MW409.87 g/mol
LogP5.25
Rot. Bonds7

About N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide

N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide (PubChem CID 19645150) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
PubChem CID19645150
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC NameN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(C)C(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C23H20ClNO4/c1-15(22(26)16-5-3-7-18(24)13-16)29-20-11-9-19(10-12-20)25-23(27)17-6-4-8-21(14-17)28-2/h3-15H,1-2H3,(H,25,27)
InChIKeyWWNLPUITRVKVFS-UHFFFAOYSA-N
XLogP5.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645148
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide (CID 19645150) is N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(OC(C)C(=O)c3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide?
The InChIKey is WWNLPUITRVKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-15(22(26)16-5-3-7-18(24)13-16)29-20-11-9-19(10-12-20)25-23(27)17-6-4-8-21(14-17)28-2/h3-15H,1-2H3,(H,25,27).
What are the key properties of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide?
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide has a molecular weight of 409.87 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide is sourced from PubChem (CID 19645150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).