N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide

C23H28Cl2N2O — CID 12862742

IUPACN-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)CCc1ccccc1
InChIInChI=1S/C23H28Cl2N2O/c1-3-23(28)27(18-12-13-19(24)20(25)16-18)22-11-7-10-21(22)26(2)15-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,21-22H,3,7,10-11,14-15H2,1-2H3
InChIKeyDUOSFJSYYXCVHX-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.83
Rot. Bonds7

About N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide

N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide (PubChem CID 12862742) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide
PubChem CID12862742
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC NameN-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)CCc1ccccc1
InChIInChI=1S/C23H28Cl2N2O/c1-3-23(28)27(18-12-13-19(24)20(25)16-18)22-11-7-10-21(22)26(2)15-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,21-22H,3,7,10-11,14-15H2,1-2H3
InChIKeyDUOSFJSYYXCVHX-UHFFFAOYSA-N
XLogP5.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide (CID 12862742) is N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide is CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)CCc1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide?
The InChIKey is DUOSFJSYYXCVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-3-23(28)27(18-12-13-19(24)20(25)16-18)22-11-7-10-21(22)26(2)15-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,21-22H,3,7,10-11,14-15H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide?
N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide has a molecular weight of 419.40 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[2-[methyl(2-phenylethyl)amino]cyclopentyl]propanamide is sourced from PubChem (CID 12862742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).