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

C23H20ClNO3 — CID 19645063

IUPACN-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-7-5-8-20(14-19)28-16(2)22(26)17-10-12-18(24)13-11-17/h3-14,16H,1-2H3,(H,25,27)
InChIKeyJMBQSIOMKXYYRB-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.55
Rot. Bonds6

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

N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (PubChem CID 19645063) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
PubChem CID19645063
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC NameN-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-7-5-8-20(14-19)28-16(2)22(26)17-10-12-18(24)13-11-17/h3-14,16H,1-2H3,(H,25,27)
InChIKeyJMBQSIOMKXYYRB-UHFFFAOYSA-N
XLogP5.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645108
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-nitrobenzamide
CID 19645011
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (CID 19645063) is N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The InChIKey is JMBQSIOMKXYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-7-5-8-20(14-19)28-16(2)22(26)17-10-12-18(24)13-11-17/h3-14,16H,1-2H3,(H,25,27).
What are the key properties of N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide has a molecular weight of 393.87 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 19645063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).