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

C23H20ClNO3 — CID 19645144

IUPACN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC(C)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-10-12-20(13-11-19)28-16(2)22(26)17-7-5-8-18(24)14-17/h3-14,16H,1-2H3,(H,25,27)
InChIKeyLVIMSCXBYYFYRW-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.55
Rot. Bonds6

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

N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (PubChem CID 19645144) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
PubChem CID19645144
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC NameN-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC(C)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-10-12-20(13-11-19)28-16(2)22(26)17-7-5-8-18(24)14-17/h3-14,16H,1-2H3,(H,25,27)
InChIKeyLVIMSCXBYYFYRW-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

4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
CID 19645150
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645148
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methylbenzamide
CID 4629267
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
1-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 63649694
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (CID 19645144) is N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(OC(C)C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The InChIKey is LVIMSCXBYYFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-15-6-3-4-9-21(15)23(27)25-19-10-12-20(13-11-19)28-16(2)22(26)17-7-5-8-18(24)14-17/h3-14,16H,1-2H3,(H,25,27).
What are the key properties of N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
N-[4-[1-(3-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-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 19645144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).