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

C13H18ClNO2 — CID 62517955

IUPAC2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-13(4-2,9-16)15-12(17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyVDHNBZMIJYAOMG-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.62
Rot. Bonds5

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

2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (PubChem CID 62517955) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
PubChem CID62517955
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-13(4-2,9-16)15-12(17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyVDHNBZMIJYAOMG-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304558
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629
3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-nitrobenzamide
CID 115541131
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
CID 63108482
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
CID 62519943
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
4-chloro-2,5-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 82773237
5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-2-fluorobenzamide
CID 107868066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide (CID 62517955) is 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is CCC(CC)(CO)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The InChIKey is VDHNBZMIJYAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-13(4-2,9-16)15-12(17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide has a molecular weight of 255.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide is sourced from PubChem (CID 62517955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).