3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide

C20H28Cl2N2O2 — CID 113123314

IUPAC3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H28Cl2N2O2/c1-15(25)24(12-10-16-8-9-17(21)14-19(16)22)13-11-20(26)23-18-6-4-2-3-5-7-18/h8-9,14,18H,2-7,10-13H2,1H3,(H,23,26)
InChIKeyTXZNFKXRKIKOMI-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.61
Rot. Bonds7

About 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide

3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide (PubChem CID 113123314) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
PubChem CID113123314
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC Name3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H28Cl2N2O2/c1-15(25)24(12-10-16-8-9-17(21)14-19(16)22)13-11-20(26)23-18-6-4-2-3-5-7-18/h8-9,14,18H,2-7,10-13H2,1H3,(H,23,26)
InChIKeyTXZNFKXRKIKOMI-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311
N-[2-(2,4-dichlorophenyl)ethyl]-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113123318
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
3-cyclohexyl-1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-nitrophenyl)methyl]urea
CID 42709387
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide (CID 113123314) is 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide is CC(=O)N(CCC(=O)NC1CCCCCC1)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide?
The InChIKey is TXZNFKXRKIKOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O2/c1-15(25)24(12-10-16-8-9-17(21)14-19(16)22)13-11-20(26)23-18-6-4-2-3-5-7-18/h8-9,14,18H,2-7,10-13H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide?
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide has a molecular weight of 399.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide is sourced from PubChem (CID 113123314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).