2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

C21H22FNO3 — CID 134013712

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H22FNO3/c1-14(24)15-7-10-20(26-2)17(11-15)12-21(25)23(18-8-9-18)13-16-5-3-4-6-19(16)22/h3-7,10-11,18H,8-9,12-13H2,1-2H3
InChIKeyJXDFQQAKVPCZND-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.77
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 134013712) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID134013712
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H22FNO3/c1-14(24)15-7-10-20(26-2)17(11-15)12-21(25)23(18-8-9-18)13-16-5-3-4-6-19(16)22/h3-7,10-11,18H,8-9,12-13H2,1-2H3
InChIKeyJXDFQQAKVPCZND-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methoxyphenyl)(4-phenylazepan-1-yl)methanone
CID 45269321
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
(4-Cyclopropyl-1,4-diazepan-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24855918
(4-Cyclopropyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24856012
(4-Cyclopropyl-1,4-diazepan-1-yl)-[4-(2-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24856108
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
1-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]ethanone
CID 8554793
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
{4-[6-(Allyl-methyl-amino)-hexyloxy]-phenyl}-(4-fluoro-phenyl)-methanone; hydrochloride
CID 11014097
2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-4-methoxyphenyl)-N,N-dimethyl-2-oxoacetamide
CID 20626145
(4-Cyclopropylpiperazin-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24947938
1-[(3S)-4-(3,5-ditert-butyl-4-methoxybenzoyl)-3-methylpiperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 68171468

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (CID 134013712) is 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is JXDFQQAKVPCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-14(24)15-7-10-20(26-2)17(11-15)12-21(25)23(18-8-9-18)13-16-5-3-4-6-19(16)22/h3-7,10-11,18H,8-9,12-13H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 134013712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).