(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one

C19H21ClN2O2 — CID 94547005

IUPAC(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@H](c2ccccc2)N(CCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)24-13-12-22-11-10-21-19(23)14-18(22)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)/t18-/m1/s1
InChIKeyJVNUUUUBNIMTFM-GOSISDBHSA-N
MW344.84 g/mol
LogP3.28
Rot. Bonds5

About (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one

(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 94547005) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID94547005
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@H](c2ccccc2)N(CCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)24-13-12-22-11-10-21-19(23)14-18(22)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)/t18-/m1/s1
InChIKeyJVNUUUUBNIMTFM-GOSISDBHSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
1-[(2-chloro-3-hydroxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 167925140
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
CID 119930634
1-but-2-ynyl-7-phenyl-1,4-diazepan-5-one
CID 122137393
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-7-phenyl-1,4-diazepan-5-one
CID 56818428
(7R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-7-phenyl-1,4-diazepan-5-one
CID 124884053
3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
CID 84571309
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 47069601
1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 126770107
1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120898937
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
CID 97092180

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one (CID 94547005) is (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one is O=C1C[C@H](c2ccccc2)N(CCOc2ccc(Cl)cc2)CCN1.
What is the InChIKey of (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is JVNUUUUBNIMTFM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)24-13-12-22-11-10-21-19(23)14-18(22)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one?
(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 344.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 94547005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).