3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide

C21H26ClN3O2 — CID 8637200

IUPAC3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O2/c1-4-25(5-2)21(27)17-7-6-8-19(13-17)24-20(26)14-23-15(3)16-9-11-18(22)12-10-16/h6-13,15,23H,4-5,14H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyYTLPJTKIOKAEQD-HNNXBMFYSA-N
MW387.91 g/mol
LogP4.11
Rot. Bonds8

About 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 8637200) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID8637200
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O2/c1-4-25(5-2)21(27)17-7-6-8-19(13-17)24-20(26)14-23-15(3)16-9-11-18(22)12-10-16/h6-13,15,23H,4-5,14H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyYTLPJTKIOKAEQD-HNNXBMFYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
CID 35065040
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8638826

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide (CID 8637200) is 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is YTLPJTKIOKAEQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-25(5-2)21(27)17-7-6-8-19(13-17)24-20(26)14-23-15(3)16-9-11-18(22)12-10-16/h6-13,15,23H,4-5,14H2,1-3H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 387.91 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8637200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).