N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide

C17H22Cl2N2O2 — CID 42977412

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-2-9-21(17(23)12-5-3-4-6-12)11-16(22)20-15-10-13(18)7-8-14(15)19/h7-8,10,12H,2-6,9,11H2,1H3,(H,20,22)
InChIKeyUNEOPXSFKAMRES-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide (PubChem CID 42977412) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
PubChem CID42977412
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-2-9-21(17(23)12-5-3-4-6-12)11-16(22)20-15-10-13(18)7-8-14(15)19/h7-8,10,12H,2-6,9,11H2,1H3,(H,20,22)
InChIKeyUNEOPXSFKAMRES-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide
CID 60543757
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
(2S,5R)-5-(aminomethyl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyloxolane-2-carboxamide;hydrochloride
CID 120783767
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
tert-butyl 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]piperidine-1-carboxylate
CID 55388595
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide (CID 42977412) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCCC1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The InChIKey is UNEOPXSFKAMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-2-9-21(17(23)12-5-3-4-6-12)11-16(22)20-15-10-13(18)7-8-14(15)19/h7-8,10,12H,2-6,9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide has a molecular weight of 357.28 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 42977412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).