N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide

C13H18ClNO3 — CID 13343257

IUPACN-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
SMILESCCOc1c(Cl)cc(NC(=O)CC)cc1COC
InChIInChI=1S/C13H18ClNO3/c1-4-12(16)15-10-6-9(8-17-3)13(18-5-2)11(14)7-10/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyBUSCZBPJQJNCPR-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.23
Rot. Bonds6

About N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide

N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide (PubChem CID 13343257) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
PubChem CID13343257
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
SMILESCCOc1c(Cl)cc(NC(=O)CC)cc1COC
InChIInChI=1S/C13H18ClNO3/c1-4-12(16)15-10-6-9(8-17-3)13(18-5-2)11(14)7-10/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyBUSCZBPJQJNCPR-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-2-phenoxyacetamide
CID 13343268
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
3-chloro-4-ethoxy-5-(methoxymethyl)aniline
CID 13335751
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
CID 13304051
propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate
CID 15593134
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide (CID 13343257) is N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide is CCOc1c(Cl)cc(NC(=O)CC)cc1COC.
What is the InChIKey of N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide?
The InChIKey is BUSCZBPJQJNCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-12(16)15-10-6-9(8-17-3)13(18-5-2)11(14)7-10/h6-7H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide?
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide has a molecular weight of 271.74 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 13343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).