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

C14H18Cl2N2O2 — CID 47097189

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-9(4-2)14(20)17-8-13(19)18-12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLQWKVWCMIRXZLM-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide (PubChem CID 47097189) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
PubChem CID47097189
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-9(4-2)14(20)17-8-13(19)18-12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLQWKVWCMIRXZLM-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
(2S)-2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119268231
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7936906
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
CID 119683827
ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9152510
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide (CID 47097189) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is LQWKVWCMIRXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-9(4-2)14(20)17-8-13(19)18-12-7-10(15)5-6-11(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 317.22 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 47097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).