2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide

C16H24ClN3O2 — CID 119762109

IUPAC2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H24ClN3O2/c1-4-9-16(3,18)15(22)19-10-8-14(21)20-13-7-5-6-12(17)11(13)2/h5-7H,4,8-10,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyREFTWEFTQTZAAL-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide

2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide (PubChem CID 119762109) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
PubChem CID119762109
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H24ClN3O2/c1-4-9-16(3,18)15(22)19-10-8-14(21)20-13-7-5-6-12(17)11(13)2/h5-7H,4,8-10,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyREFTWEFTQTZAAL-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-3-[(N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 110927766
3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111150515
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide (CID 119762109) is 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide?
The InChIKey is REFTWEFTQTZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-9-16(3,18)15(22)19-10-8-14(21)20-13-7-5-6-12(17)11(13)2/h5-7H,4,8-10,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide?
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide has a molecular weight of 325.84 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide is sourced from PubChem (CID 119762109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).