N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide

C15H21ClN2O2 — CID 113059796

IUPACN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H21ClN2O2/c1-10(2)15(20)17-7-8-18(12(4)19)14-9-13(16)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyAGNSRLJTAFWERU-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide (PubChem CID 113059796) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
PubChem CID113059796
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H21ClN2O2/c1-10(2)15(20)17-7-8-18(12(4)19)14-9-13(16)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyAGNSRLJTAFWERU-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
methyl 3-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062086
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide (CID 113059796) is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide?
The InChIKey is AGNSRLJTAFWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)15(20)17-7-8-18(12(4)19)14-9-13(16)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide?
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113059796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).