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

C12H16ClNO2 — CID 110782924

IUPACN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H16ClNO2/c1-4-11(15)14-7-9-6-10(13)5-8(2)12(9)16-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyUKPIUMQQWJCLGP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.68
Rot. Bonds4

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

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide (PubChem CID 110782924) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
PubChem CID110782924
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H16ClNO2/c1-4-11(15)14-7-9-6-10(13)5-8(2)12(9)16-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyUKPIUMQQWJCLGP-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
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]propanamide?
The IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide (CID 110782924) is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide is CCC(=O)NCc1cc(Cl)cc(C)c1OC.
What is the InChIKey of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide?
The InChIKey is UKPIUMQQWJCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-11(15)14-7-9-6-10(13)5-8(2)12(9)16-3/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide?
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.68, 4 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]propanamide is sourced from PubChem (CID 110782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).