2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide

C14H18Cl2N2O2 — CID 18626625

IUPAC2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide
SMILESCCCCC(C(=O)NC(=O)NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-4-5-10(13(19)18-14(20)17-2)9-6-7-11(15)12(16)8-9/h6-8,10H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyPMLLJKWFFRYTRA-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.72
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide

2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide (PubChem CID 18626625) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide
PubChem CID18626625
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide
SMILESCCCCC(C(=O)NC(=O)NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-4-5-10(13(19)18-14(20)17-2)9-6-7-11(15)12(16)8-9/h6-8,10H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyPMLLJKWFFRYTRA-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
methyl 2-(3-chloro-4-methylphenyl)hexanoate
CID 107560881
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 46223569
2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
CID 143606930
butan-2-one;N-methyl-2-phenylhexanamide
CID 143353676
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide (CID 18626625) is 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide is CCCCC(C(=O)NC(=O)NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide?
The InChIKey is PMLLJKWFFRYTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-4-5-10(13(19)18-14(20)17-2)9-6-7-11(15)12(16)8-9/h6-8,10H,3-5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide?
2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide has a molecular weight of 317.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide is sourced from PubChem (CID 18626625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).