4-[(4-chlorophenyl)methyl-methylamino]butanamide

C12H17ClN2O — CID 14627807

IUPAC4-[(4-chlorophenyl)methyl-methylamino]butanamide
SMILESCN(CCCC(N)=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-15(8-2-3-12(14)16)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,14,16)
InChIKeyJCIZGSIVMCZJNA-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.04
Rot. Bonds6

About 4-[(4-chlorophenyl)methyl-methylamino]butanamide

4-[(4-chlorophenyl)methyl-methylamino]butanamide (PubChem CID 14627807) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylamino]butanamide
PubChem CID14627807
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[(4-chlorophenyl)methyl-methylamino]butanamide
SMILESCN(CCCC(N)=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-15(8-2-3-12(14)16)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,14,16)
InChIKeyJCIZGSIVMCZJNA-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
2-[(4-chlorophenyl)methyl-methylamino]ethyl 3-oxobutanoate
CID 12529177

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]butanamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylamino]butanamide (CID 14627807) is 4-[(4-chlorophenyl)methyl-methylamino]butanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylamino]butanamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylamino]butanamide is CN(CCCC(N)=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylamino]butanamide?
The InChIKey is JCIZGSIVMCZJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(8-2-3-12(14)16)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,14,16).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylamino]butanamide?
4-[(4-chlorophenyl)methyl-methylamino]butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylamino]butanamide is sourced from PubChem (CID 14627807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).