4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide

C13H19ClN2O — CID 54941099

IUPAC4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-16(2)13(17)4-3-9-15-10-11-5-7-12(14)8-6-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyBZUPEMGFKYIFKJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.30
Rot. Bonds6

About 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide

4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide (PubChem CID 54941099) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
PubChem CID54941099
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-16(2)13(17)4-3-9-15-10-11-5-7-12(14)8-6-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyBZUPEMGFKYIFKJ-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
CID 114783037
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide (CID 54941099) is 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide?
The InChIKey is BZUPEMGFKYIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(2)13(17)4-3-9-15-10-11-5-7-12(14)8-6-11/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide?
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 54941099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).