(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane

C17H19ClN2 — CID 124565905

IUPAC(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
SMILESClc1ccccc1[C@@H]1CNCCCN1c1ccccc1
InChIInChI=1S/C17H19ClN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1
InChIKeyODNHDKPKOIUTPH-KRWDZBQOSA-N
MW286.81 g/mol
LogP3.88
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane

(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane (PubChem CID 124565905) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
PubChem CID124565905
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
SMILESClc1ccccc1[C@@H]1CNCCCN1c1ccccc1
InChIInChI=1S/C17H19ClN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1
InChIKeyODNHDKPKOIUTPH-KRWDZBQOSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565927
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372
(2S)-2-methyl-1-phenyl-1,4-diazocane
CID 124706685
1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
CID 66735743
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-(4-chlorophenyl)-2-phenylpiperazine
CID 64939172
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11207650
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 120765315
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane?
The IUPAC name of (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane (CID 124565905) is (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane is Clc1ccccc1[C@@H]1CNCCCN1c1ccccc1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane?
The InChIKey is ODNHDKPKOIUTPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-10-5-4-9-15(16)17-13-19-11-6-12-20(17)14-7-2-1-3-8-14/h1-5,7-10,17,19H,6,11-13H2/t17-/m0/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane?
(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane has a molecular weight of 286.81 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane is sourced from PubChem (CID 124565905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).