2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide

C25H26ClN3O3 — CID 46561691

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-18(29(2)16-24(30)28-23-11-7-6-10-22(23)26)25(31)27-20-12-14-21(15-13-20)32-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyQCULQSHJHNUINE-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.82
Rot. Bonds9

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 46561691) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID46561691
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-18(29(2)16-24(30)28-23-11-7-6-10-22(23)26)25(31)27-20-12-14-21(15-13-20)32-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyQCULQSHJHNUINE-UHFFFAOYSA-N
XLogP4.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
CID 2555298
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide (CID 46561691) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide is CC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is QCULQSHJHNUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-18(29(2)16-24(30)28-23-11-7-6-10-22(23)26)25(31)27-20-12-14-21(15-13-20)32-17-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 451.95 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 46561691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).