N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide

C15H20ClNO2 — CID 114305247

IUPACN-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C15H20ClNO2/c1-19-13-7-2-11(3-8-13)4-9-15(18)17-10-14(16)12-5-6-12/h2-3,7-8,12,14H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyFWMJVJHGAXAGGJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.76
Rot. Bonds7

About N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide

N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 114305247) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
PubChem CID114305247
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C15H20ClNO2/c1-19-13-7-2-11(3-8-13)4-9-15(18)17-10-14(16)12-5-6-12/h2-3,7-8,12,14H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyFWMJVJHGAXAGGJ-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide (CID 114305247) is N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(Cl)C2CC2)cc1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is FWMJVJHGAXAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-13-7-2-11(3-8-13)4-9-15(18)17-10-14(16)12-5-6-12/h2-3,7-8,12,14H,4-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide?
N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 281.78 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 114305247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).