1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one

C14H19ClN2O — CID 116565588

IUPAC1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)CN1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c15-14-5-2-1-4-12(14)10-13(18)11-17-8-3-6-16-7-9-17/h1-2,4-5,16H,3,6-11H2
InChIKeyZZLBCVXNTIVFGE-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.75
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one

1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one (PubChem CID 116565588) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
PubChem CID116565588
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)CN1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c15-14-5-2-1-4-12(14)10-13(18)11-17-8-3-6-16-7-9-17/h1-2,4-5,16H,3,6-11H2
InChIKeyZZLBCVXNTIVFGE-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
CID 116565615
1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
1-(1,4-diazepan-1-yl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116565556
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43327502
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
CID 62837195
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one (CID 116565588) is 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one is O=C(Cc1ccccc1Cl)CN1CCCNCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one?
The InChIKey is ZZLBCVXNTIVFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-14-5-2-1-4-12(14)10-13(18)11-17-8-3-6-16-7-9-17/h1-2,4-5,16H,3,6-11H2.
What are the key properties of 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one?
1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one has a molecular weight of 266.77 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one is sourced from PubChem (CID 116565588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).