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

C14H20ClNO3 — CID 62522464

IUPAC4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(15)8-12(11)19-3/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyFDWQYVSPXVQNRW-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.63
Rot. Bonds6

About 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide

4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide (PubChem CID 62522464) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
PubChem CID62522464
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(15)8-12(11)19-3/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyFDWQYVSPXVQNRW-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxybenzamide
CID 107867430
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-2-methoxybenzamide
CID 107867840
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447
5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
5-chloro-N-[3-(chloromethyl)pentan-3-yl]-2-methoxybenzamide
CID 114304627
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
CID 63886993
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
3-[(4-chloro-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672649
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methoxybenzamide
CID 114010993
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide (CID 62522464) is 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide is CCC(CC)(CO)NC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide?
The InChIKey is FDWQYVSPXVQNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(15)8-12(11)19-3/h6-8,17H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide?
4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 62522464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).