N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide

C13H18ClNO3 — CID 103293468

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
SMILESCOc1cccc(Cl)c1CNC(=O)CCC(C)O
InChIInChI=1S/C13H18ClNO3/c1-9(16)6-7-13(17)15-8-10-11(14)4-3-5-12(10)18-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyKQKIUZFZDGHHLR-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.13
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide

N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide (PubChem CID 103293468) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
PubChem CID103293468
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
SMILESCOc1cccc(Cl)c1CNC(=O)CCC(C)O
InChIInChI=1S/C13H18ClNO3/c1-9(16)6-7-13(17)15-8-10-11(14)4-3-5-12(10)18-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyKQKIUZFZDGHHLR-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
4-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-4-oxobutanoate
CID 7189507
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide (CID 103293468) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide is COc1cccc(Cl)c1CNC(=O)CCC(C)O.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide?
The InChIKey is KQKIUZFZDGHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9(16)6-7-13(17)15-8-10-11(14)4-3-5-12(10)18-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide has a molecular weight of 271.74 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide is sourced from PubChem (CID 103293468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).