N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide

C20H23ClFN3O — CID 87015682

IUPACN-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(c2ccc(F)cc2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c21-17-4-1-3-16(13-17)14-23-20(26)15-24-9-2-10-25(12-11-24)19-7-5-18(22)6-8-19/h1,3-8,13H,2,9-12,14-15H2,(H,23,26)
InChIKeyZPZDZMUOZUVDDW-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.31
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 87015682) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
PubChem CID87015682
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(c2ccc(F)cc2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c21-17-4-1-3-16(13-17)14-23-20(26)15-24-9-2-10-25(12-11-24)19-7-5-18(22)6-8-19/h1,3-8,13H,2,9-12,14-15H2,(H,23,26)
InChIKeyZPZDZMUOZUVDDW-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 26428931
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 87019705
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019468
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27185871
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 25333150
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide (CID 87015682) is N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(c2ccc(F)cc2)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is ZPZDZMUOZUVDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-17-4-1-3-16(13-17)14-23-20(26)15-24-9-2-10-25(12-11-24)19-7-5-18(22)6-8-19/h1,3-8,13H,2,9-12,14-15H2,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 375.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 87015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).