3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

C21H24ClN3O2 — CID 46573730

IUPAC3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-14(15-6-8-17(22)9-7-15)25(2)13-20(26)23-19-5-3-4-16(12-19)21(27)24-18-10-11-18/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYSBGKRYLPQSGDK-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.86
Rot. Bonds7

About 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 46573730) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID46573730
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-14(15-6-8-17(22)9-7-15)25(2)13-20(26)23-19-5-3-4-16(12-19)21(27)24-18-10-11-18/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYSBGKRYLPQSGDK-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 25497237
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
CID 26993661
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 46573730) is 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is CC(c1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is YSBGKRYLPQSGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14(15-6-8-17(22)9-7-15)25(2)13-20(26)23-19-5-3-4-16(12-19)21(27)24-18-10-11-18/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 46573730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).