N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide

C14H18Cl2N2O — CID 115755804

IUPACN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyGDSIGIPMLWAHBW-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide

N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide (PubChem CID 115755804) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
PubChem CID115755804
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyGDSIGIPMLWAHBW-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 61488089
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
3-[cyclopropyl-[(2,5-dichloro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 104727639
2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
CID 113251331
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003548
2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55345434
2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 111753533
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
N-cyclopropyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244209
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide (CID 115755804) is N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide is CCN(C(=O)CNc1cc(Cl)c(C)cc1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
The InChIKey is GDSIGIPMLWAHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-3-18(10-4-5-10)14(19)8-17-13-7-11(15)9(2)6-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide?
N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide has a molecular weight of 301.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 115755804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).