N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide

C21H25Cl2N3O2 — CID 8599257

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-4-26(13-20(27)25-19-11-18(23)9-8-14(19)2)21(28)12-24-15(3)16-6-5-7-17(22)10-16/h5-11,15,24H,4,12-13H2,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyWVXVNUWWWAADTA-HNNXBMFYSA-N
MW422.36 g/mol
LogP4.44
Rot. Bonds8

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide (PubChem CID 8599257) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
PubChem CID8599257
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-4-26(13-20(27)25-19-11-18(23)9-8-14(19)2)21(28)12-24-15(3)16-6-5-7-17(22)10-16/h5-11,15,24H,4,12-13H2,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyWVXVNUWWWAADTA-HNNXBMFYSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide
CID 112801140
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81396572
N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81395668
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9331511
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331654
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide (CID 8599257) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide?
The InChIKey is WVXVNUWWWAADTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-4-26(13-20(27)25-19-11-18(23)9-8-14(19)2)21(28)12-24-15(3)16-6-5-7-17(22)10-16/h5-11,15,24H,4,12-13H2,1-3H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide has a molecular weight of 422.36 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide is sourced from PubChem (CID 8599257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).