N-(3-chloro-4,5-diethoxyphenyl)propanamide

C13H18ClNO3 — CID 13343225

IUPACN-(3-chloro-4,5-diethoxyphenyl)propanamide
SMILESCCOc1cc(NC(=O)CC)cc(Cl)c1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-12(16)15-9-7-10(14)13(18-6-3)11(8-9)17-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyORNPEAHTQBSJJD-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.49
Rot. Bonds6

About N-(3-chloro-4,5-diethoxyphenyl)propanamide

N-(3-chloro-4,5-diethoxyphenyl)propanamide (PubChem CID 13343225) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(3-chloro-4,5-diethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4,5-diethoxyphenyl)propanamide
PubChem CID13343225
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(3-chloro-4,5-diethoxyphenyl)propanamide
SMILESCCOc1cc(NC(=O)CC)cc(Cl)c1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-12(16)15-9-7-10(14)13(18-6-3)11(8-9)17-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyORNPEAHTQBSJJD-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
CID 13343257
4-chlorobut-2-ynyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303978
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
CID 13343277
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
3-chloro-4,5-diethoxybenzoate
CID 7326781
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
N-(3-chloro-4,5-diethoxyphenyl)-2-[(3-chloro-2,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329613
3,4,5-triethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 2900041
3-chloro-4,5-diethoxyaniline
CID 13335752

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4,5-diethoxyphenyl)propanamide?
The IUPAC name of N-(3-chloro-4,5-diethoxyphenyl)propanamide (CID 13343225) is N-(3-chloro-4,5-diethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4,5-diethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4,5-diethoxyphenyl)propanamide is CCOc1cc(NC(=O)CC)cc(Cl)c1OCC.
What is the InChIKey of N-(3-chloro-4,5-diethoxyphenyl)propanamide?
The InChIKey is ORNPEAHTQBSJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-12(16)15-9-7-10(14)13(18-6-3)11(8-9)17-5-2/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(3-chloro-4,5-diethoxyphenyl)propanamide?
N-(3-chloro-4,5-diethoxyphenyl)propanamide has a molecular weight of 271.74 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4,5-diethoxyphenyl)propanamide is sourced from PubChem (CID 13343225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).