2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide

C20H21ClFNO3 — CID 33078304

IUPAC2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)Cc2c(F)cccc2Cl)C2CC2)c1
InChIInChI=1S/C20H21ClFNO3/c1-25-15-8-9-19(26-2)13(10-15)12-23(14-6-7-14)20(24)11-16-17(21)4-3-5-18(16)22/h3-5,8-10,14H,6-7,11-12H2,1-2H3
InChIKeyKVEONMGVTKWHNN-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.23
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 33078304) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
PubChem CID33078304
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)Cc2c(F)cccc2Cl)C2CC2)c1
InChIInChI=1S/C20H21ClFNO3/c1-25-15-8-9-19(26-2)13(10-15)12-23(14-6-7-14)20(24)11-16-17(21)4-3-5-18(16)22/h3-5,8-10,14H,6-7,11-12H2,1-2H3
InChIKeyKVEONMGVTKWHNN-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 134013712
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 33081307

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide (CID 33078304) is 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide is COc1ccc(OC)c(CN(C(=O)Cc2c(F)cccc2Cl)C2CC2)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is KVEONMGVTKWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-25-15-8-9-19(26-2)13(10-15)12-23(14-6-7-14)20(24)11-16-17(21)4-3-5-18(16)22/h3-5,8-10,14H,6-7,11-12H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 377.84 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 33078304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).