N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide

C13H18ClNO2 — CID 110782925

IUPACN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C13H18ClNO2/c1-4-5-12(16)15-8-10-7-11(14)6-9(2)13(10)17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyPSRDXUIWPJPANV-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.07
Rot. Bonds5

About N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide (PubChem CID 110782925) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
PubChem CID110782925
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C13H18ClNO2/c1-4-5-12(16)15-8-10-7-11(14)6-9(2)13(10)17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyPSRDXUIWPJPANV-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 110794198
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
CID 110782930
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide?
The IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide (CID 110782925) is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide is CCCC(=O)NCc1cc(Cl)cc(C)c1OC.
What is the InChIKey of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide?
The InChIKey is PSRDXUIWPJPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-5-12(16)15-8-10-7-11(14)6-9(2)13(10)17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide?
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide has a molecular weight of 255.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 110782925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).