N-(1-aminobutan-2-yl)-2-chlorobenzamide

C11H15ClN2O — CID 65193613

IUPACN-(1-aminobutan-2-yl)-2-chlorobenzamide
SMILESCCC(CN)NC(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-2-8(7-13)14-11(15)9-5-3-4-6-10(9)12/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyWUMLVMUFUQGDGF-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.81
Rot. Bonds4

About N-(1-aminobutan-2-yl)-2-chlorobenzamide

N-(1-aminobutan-2-yl)-2-chlorobenzamide (PubChem CID 65193613) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-chlorobenzamide
PubChem CID65193613
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1-aminobutan-2-yl)-2-chlorobenzamide
SMILESCCC(CN)NC(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-2-8(7-13)14-11(15)9-5-3-4-6-10(9)12/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyWUMLVMUFUQGDGF-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956165
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
CID 55101832
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
N-(1-chlorobutan-2-yl)-2-hydroxybenzamide
CID 114294495
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-chlorobenzamide (CID 65193613) is N-(1-aminobutan-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-chlorobenzamide is CCC(CN)NC(=O)c1ccccc1Cl.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-chlorobenzamide?
The InChIKey is WUMLVMUFUQGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-8(7-13)14-11(15)9-5-3-4-6-10(9)12/h3-6,8H,2,7,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminobutan-2-yl)-2-chlorobenzamide?
N-(1-aminobutan-2-yl)-2-chlorobenzamide has a molecular weight of 226.71 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 65193613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).