5-amino-N-(3-chlorophenyl)hexanamide

C12H17ClN2O — CID 82849187

IUPAC5-amino-N-(3-chlorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9(14)4-2-7-12(16)15-11-6-3-5-10(13)8-11/h3,5-6,8-9H,2,4,7,14H2,1H3,(H,15,16)
InChIKeyGAZFUNARVXGSJT-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-N-(3-chlorophenyl)hexanamide

5-amino-N-(3-chlorophenyl)hexanamide (PubChem CID 82849187) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-amino-N-(3-chlorophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3-chlorophenyl)hexanamide
PubChem CID82849187
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-amino-N-(3-chlorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9(14)4-2-7-12(16)15-11-6-3-5-10(13)8-11/h3,5-6,8-9H,2,4,7,14H2,1H3,(H,15,16)
InChIKeyGAZFUNARVXGSJT-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
2-(2-aminopropylsulfinyl)-N-(3-chlorophenyl)acetamide
CID 81188971
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
5-amino-N-(6-chloro-2-pyridinyl)hexanamide
CID 82853086

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chlorophenyl)hexanamide?
The IUPAC name of 5-amino-N-(3-chlorophenyl)hexanamide (CID 82849187) is 5-amino-N-(3-chlorophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(3-chlorophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(3-chlorophenyl)hexanamide is CC(N)CCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-(3-chlorophenyl)hexanamide?
The InChIKey is GAZFUNARVXGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(14)4-2-7-12(16)15-11-6-3-5-10(13)8-11/h3,5-6,8-9H,2,4,7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(3-chlorophenyl)hexanamide?
5-amino-N-(3-chlorophenyl)hexanamide has a molecular weight of 240.73 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chlorophenyl)hexanamide is sourced from PubChem (CID 82849187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).