N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane

C16H26Cl2N2O3 — CID 142024906

IUPACN-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane
SMILESCCC.CNC(CC=O)CC(=O)Nc1cc(Cl)cc(Cl)c1.CO
InChIInChI=1S/C12H14Cl2N2O2.C3H8.CH4O/c1-15-10(2-3-17)7-12(18)16-11-5-8(13)4-9(14)6-11;1-3-2;1-2/h3-6,10,15H,2,7H2,1H3,(H,16,18);3H2,1-2H3;2H,1H3
InChIKeyXIMQGOMIXZLRMO-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.52
Rot. Bonds6

About N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane

N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane (PubChem CID 142024906) has the molecular formula C16H26Cl2N2O3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane
PubChem CID142024906
Molecular FormulaC16H26Cl2N2O3
Molecular Weight365.30 g/mol
Exact Mass364.13
IUPAC NameN-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane
SMILESCCC.CNC(CC=O)CC(=O)Nc1cc(Cl)cc(Cl)c1.CO
InChIInChI=1S/C12H14Cl2N2O2.C3H8.CH4O/c1-15-10(2-3-17)7-12(18)16-11-5-8(13)4-9(14)6-11;1-3-2;1-2/h3-6,10,15H,2,7H2,1H3,(H,16,18);3H2,1-2H3;2H,1H3
InChIKeyXIMQGOMIXZLRMO-UHFFFAOYSA-N
XLogP3.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
N-(3-chloro-5-formylphenyl)propanamide
CID 71813664
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
2-amino-4-(3,5-dichloroanilino)-4-oxobutanoic acid
CID 91337072
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
4-(3,5-dichloroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 18581192
2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
CID 4278652
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane (CID 142024906) is N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane is CCC.CNC(CC=O)CC(=O)Nc1cc(Cl)cc(Cl)c1.CO.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane?
The InChIKey is XIMQGOMIXZLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.C3H8.CH4O/c1-15-10(2-3-17)7-12(18)16-11-5-8(13)4-9(14)6-11;1-3-2;1-2/h3-6,10,15H,2,7H2,1H3,(H,16,18);3H2,1-2H3;2H,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane?
N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane has a molecular weight of 365.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane is sourced from PubChem (CID 142024906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).