2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide

C14H19F2N3O — CID 103585983

IUPAC2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
SMILESCc1cc(F)c(NC(=O)CN2CCCNCC2)cc1F
InChIInChI=1S/C14H19F2N3O/c1-10-7-12(16)13(8-11(10)15)18-14(20)9-19-5-2-3-17-4-6-19/h7-8,17H,2-6,9H2,1H3,(H,18,20)
InChIKeyBQFZBRVYCWIKQN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.51
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide (PubChem CID 103585983) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
PubChem CID103585983
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
SMILESCc1cc(F)c(NC(=O)CN2CCCNCC2)cc1F
InChIInChI=1S/C14H19F2N3O/c1-10-7-12(16)13(8-11(10)15)18-14(20)9-19-5-2-3-17-4-6-19/h7-8,17H,2-6,9H2,1H3,(H,18,20)
InChIKeyBQFZBRVYCWIKQN-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)-2-oxoacetamide
CID 103586827
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
2-(1,4-diazepan-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 62839860
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
CID 60849658
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide (CID 103585983) is 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide is Cc1cc(F)c(NC(=O)CN2CCCNCC2)cc1F.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide?
The InChIKey is BQFZBRVYCWIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-10-7-12(16)13(8-11(10)15)18-14(20)9-19-5-2-3-17-4-6-19/h7-8,17H,2-6,9H2,1H3,(H,18,20).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 103585983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).