N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide

C18H24Cl2N2O2 — CID 132762203

IUPACN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-17(23)22(11-13-8-9-14(19)10-16(13)20)12(2)18(24)21-15-6-4-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,24)
InChIKeyCXGTZOPIEAZXKY-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.18
Rot. Bonds6

About N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide

N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide (PubChem CID 132762203) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
PubChem CID132762203
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-17(23)22(11-13-8-9-14(19)10-16(13)20)12(2)18(24)21-15-6-4-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,24)
InChIKeyCXGTZOPIEAZXKY-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615143
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 132614301
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132616392
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132619997
N-cyclohexyl-2-[[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide
CID 132637165
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 132620007
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132627988
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132632758
(2R)-N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 125060512
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide (CID 132762203) is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide?
The InChIKey is CXGTZOPIEAZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-3-17(23)22(11-13-8-9-14(19)10-16(13)20)12(2)18(24)21-15-6-4-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide?
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide has a molecular weight of 371.31 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 132762203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).