2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide

C15H23ClN2O — CID 43113582

IUPAC2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O/c1-5-13(6-2)18-15(19)11(4)17-14-9-12(16)8-7-10(14)3/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyBFIRMIYXSIHONB-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.75
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide

2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide (PubChem CID 43113582) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
PubChem CID43113582
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O/c1-5-13(6-2)18-15(19)11(4)17-14-9-12(16)8-7-10(14)3/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyBFIRMIYXSIHONB-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide (CID 43113582) is 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide?
The InChIKey is BFIRMIYXSIHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-13(6-2)18-15(19)11(4)17-14-9-12(16)8-7-10(14)3/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide?
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide has a molecular weight of 282.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43113582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).