N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide

C23H21ClN2O3 — CID 33284692

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-26(15-22(27)25-20-9-5-8-19(24)14-20)23(28)18-10-12-21(13-11-18)29-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyKNBLVBXOTDGYJK-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide (PubChem CID 33284692) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
PubChem CID33284692
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-26(15-22(27)25-20-9-5-8-19(24)14-20)23(28)18-10-12-21(13-11-18)29-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyKNBLVBXOTDGYJK-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38620709
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 38623146
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide (CID 33284692) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is KNBLVBXOTDGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-26(15-22(27)25-20-9-5-8-19(24)14-20)23(28)18-10-12-21(13-11-18)29-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 408.89 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 33284692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).