(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone

C19H19ClN2O3 — CID 108544821

IUPAC(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-7-5-14(6-8-16)18(24)21-9-2-10-22(12-11-21)19(25)15-3-1-4-17(23)13-15/h1,3-8,13,23H,2,9-12H2
InChIKeyBZNINTMQZMKXNM-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.03
Rot. Bonds2

About (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone

(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 108544821) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID108544821
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-7-5-14(6-8-16)18(24)21-9-2-10-22(12-11-21)19(25)15-3-1-4-17(23)13-15/h1,3-8,13,23H,2,9-12H2
InChIKeyBZNINTMQZMKXNM-UHFFFAOYSA-N
XLogP3.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 108548020
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 43251888
2-(4-chlorophenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108535959
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone (CID 108544821) is (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is BZNINTMQZMKXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-7-5-14(6-8-16)18(24)21-9-2-10-22(12-11-21)19(25)15-3-1-4-17(23)13-15/h1,3-8,13,23H,2,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone?
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 108544821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).