3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide

C23H21ClN2O3 — CID 100750034

IUPAC3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-26(2)23(28)16-10-12-19(13-11-16)25-22(27)17-7-5-8-20(14-17)29-15-18-6-3-4-9-21(18)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXCDGBAOCJHGKBC-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.87
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 100750034) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID100750034
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-26(2)23(28)16-10-12-19(13-11-16)25-22(27)17-7-5-8-20(14-17)29-15-18-6-3-4-9-21(18)24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXCDGBAOCJHGKBC-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 100750028
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 30155589
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
CID 100749996

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide (CID 100750034) is 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide is CN(C)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is XCDGBAOCJHGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-26(2)23(28)16-10-12-19(13-11-16)25-22(27)17-7-5-8-20(14-17)29-15-18-6-3-4-9-21(18)24/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 100750034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).