N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide

C14H19ClN2O2 — CID 112997994

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClN2O2/c1-3-4-5-13(18)16-9-14(19)17-12-8-11(15)7-6-10(12)2/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLVOWNEINTMHVAE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide (PubChem CID 112997994) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
PubChem CID112997994
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClN2O2/c1-3-4-5-13(18)16-9-14(19)17-12-8-11(15)7-6-10(12)2/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLVOWNEINTMHVAE-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
CID 19187754
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide (CID 112997994) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide?
The InChIKey is LVOWNEINTMHVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-4-5-13(18)16-9-14(19)17-12-8-11(15)7-6-10(12)2/h6-8H,3-5,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide has a molecular weight of 282.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 112997994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).