4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide

C12H18ClN3O — CID 43710281

IUPAC4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C12H18ClN3O/c1-16(2)11-6-5-9(13)8-10(11)15-12(17)4-3-7-14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyXUELXNAMZWVMGV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.08
Rot. Bonds5

About 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide

4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide (PubChem CID 43710281) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
PubChem CID43710281
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C12H18ClN3O/c1-16(2)11-6-5-9(13)8-10(11)15-12(17)4-3-7-14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyXUELXNAMZWVMGV-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide (CID 43710281) is 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide is CN(C)c1ccc(Cl)cc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide?
The InChIKey is XUELXNAMZWVMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(2)11-6-5-9(13)8-10(11)15-12(17)4-3-7-14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide?
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide has a molecular weight of 255.75 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide is sourced from PubChem (CID 43710281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).