(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

C19H18F4N2O — CID 23792504

IUPAC(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F4N2O/c20-15-2-3-18(23)14(10-15)12-24-4-1-5-25(7-6-24)19(26)13-8-16(21)11-17(22)9-13/h2-3,8-11H,1,4-7,12H2
InChIKeyDUFZOQFCFXPVHE-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.59
Rot. Bonds3

About (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 23792504) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID23792504
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F4N2O/c20-15-2-3-18(23)14(10-15)12-24-4-1-5-25(7-6-24)19(26)13-8-16(21)11-17(22)9-13/h2-3,8-11H,1,4-7,12H2
InChIKeyDUFZOQFCFXPVHE-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone 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

(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23824420
1-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 23904631
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 80666256
7-[4-[(2,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166338147
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
(7-fluoroisoquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 167888543
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 23792504) is (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is DUFZOQFCFXPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-15-2-3-18(23)14(10-15)12-24-4-1-5-25(7-6-24)19(26)13-8-16(21)11-17(22)9-13/h2-3,8-11H,1,4-7,12H2.
What are the key properties of (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone?
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 366.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 23792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).