N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

C22H26FN3O3 — CID 9292636

IUPACN-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCCCN2CC(=O)NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-17-12-10-16(11-13-17)20-9-3-2-6-14-26(20)15-21(27)25-22(28)24-19-8-5-4-7-18(19)23/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H2,24,25,27,28)/t20-/m0/s1
InChIKeyOGALBCONNHVXPQ-FQEVSTJZSA-N
MW399.47 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (PubChem CID 9292636) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
PubChem CID9292636
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCCCN2CC(=O)NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-17-12-10-16(11-13-17)20-9-3-2-6-14-26(20)15-21(27)25-22(28)24-19-8-5-4-7-18(19)23/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H2,24,25,27,28)/t20-/m0/s1
InChIKeyOGALBCONNHVXPQ-FQEVSTJZSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]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

N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9402996
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 98430569
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (CID 9292636) is N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is COc1ccc([C@@H]2CCCCCN2CC(=O)NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The InChIKey is OGALBCONNHVXPQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-29-17-12-10-16(11-13-17)20-9-3-2-6-14-26(20)15-21(27)25-22(28)24-19-8-5-4-7-18(19)23/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H2,24,25,27,28)/t20-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is sourced from PubChem (CID 9292636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).