2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide

C13H19ClN2O2 — CID 115540629

IUPAC2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-3-13(4-2,8-17)16-12(18)9-6-5-7-10(14)11(9)15/h5-7,17H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyIZAMJMSXFLQAPU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide

2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (PubChem CID 115540629) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
PubChem CID115540629
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-3-13(4-2,8-17)16-12(18)9-6-5-7-10(14)11(9)15/h5-7,17H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyIZAMJMSXFLQAPU-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-nitrobenzamide
CID 115541131
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
CID 114007995
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-chloro-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304558
2-amino-3-chloro-N-propylbenzamide
CID 80503191
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-2-fluorobenzamide
CID 107868066
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
CID 63108482

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (CID 115540629) is 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is CCC(CC)(CO)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The InChIKey is IZAMJMSXFLQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-13(4-2,8-17)16-12(18)9-6-5-7-10(14)11(9)15/h5-7,17H,3-4,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is sourced from PubChem (CID 115540629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).