N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide

C23H22ClNO3 — CID 90599957

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
SMILESCOC(C)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClNO3/c1-23(27-2,18-7-6-8-19(24)15-18)16-25-22(26)17-11-13-21(14-12-17)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyWBJCDJRDWDQCLH-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.42
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide (PubChem CID 90599957) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
PubChem CID90599957
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
SMILESCOC(C)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClNO3/c1-23(27-2,18-7-6-8-19(24)15-18)16-25-22(26)17-11-13-21(14-12-17)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyWBJCDJRDWDQCLH-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide (CID 90599957) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide is COC(C)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide?
The InChIKey is WBJCDJRDWDQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-23(27-2,18-7-6-8-19(24)15-18)16-25-22(26)17-11-13-21(14-12-17)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide has a molecular weight of 395.89 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide is sourced from PubChem (CID 90599957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).