4-amino-N-[(2-chlorophenyl)methyl]butanamide

C11H15ClN2O — CID 22692149

IUPAC4-amino-N-[(2-chlorophenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c12-10-5-2-1-4-9(10)8-14-11(15)6-3-7-13/h1-2,4-5H,3,6-8,13H2,(H,14,15)
InChIKeyNJKQAFASMXVOHE-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-N-[(2-chlorophenyl)methyl]butanamide

4-amino-N-[(2-chlorophenyl)methyl]butanamide (PubChem CID 22692149) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]butanamide
PubChem CID22692149
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c12-10-5-2-1-4-9(10)8-14-11(15)6-3-7-13/h1-2,4-5H,3,6-8,13H2,(H,14,15)
InChIKeyNJKQAFASMXVOHE-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
4-amino-N-[(2-nitrophenyl)methyl]butanamide;hydrochloride
CID 119280318
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]butanamide (CID 22692149) is 4-amino-N-[(2-chlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]butanamide is NCCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]butanamide?
The InChIKey is NJKQAFASMXVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-5-2-1-4-9(10)8-14-11(15)6-3-7-13/h1-2,4-5H,3,6-8,13H2,(H,14,15).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]butanamide?
4-amino-N-[(2-chlorophenyl)methyl]butanamide has a molecular weight of 226.71 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 22692149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).