4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one

C20H18ClN3O2 — CID 56914150

IUPAC4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCCN1
InChIInChI=1S/C20H18ClN3O2/c21-14-7-8-16-15(11-14)18(13-5-2-1-3-6-13)19(23-16)20(26)24-10-4-9-22-17(25)12-24/h1-3,5-8,11,23H,4,9-10,12H2,(H,22,25)
InChIKeyKYWBDKUYLOUTHS-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.45
Rot. Bonds2

About 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one

4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one (PubChem CID 56914150) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
PubChem CID56914150
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCCN1
InChIInChI=1S/C20H18ClN3O2/c21-14-7-8-16-15(11-14)18(13-5-2-1-3-6-13)19(23-16)20(26)24-10-4-9-22-17(25)12-24/h1-3,5-8,11,23H,4,9-10,12H2,(H,22,25)
InChIKeyKYWBDKUYLOUTHS-UHFFFAOYSA-N
XLogP3.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-4-chlorobenzoyl)-1,4-diazepan-2-one
CID 65360971
(5-chloro-3-phenyl-1H-indol-2-yl)-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone;hydrochloride
CID 154893872
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
CID 70764541
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1H-quinolin-2-one
CID 1421862
(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
CID 95863161
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
4-(4-amino-3-chlorobenzoyl)-1,4-diazepan-2-one
CID 65364125
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one (CID 56914150) is 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCCN1.
What is the InChIKey of 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one?
The InChIKey is KYWBDKUYLOUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-7-8-16-15(11-14)18(13-5-2-1-3-6-13)19(23-16)20(26)24-10-4-9-22-17(25)12-24/h1-3,5-8,11,23H,4,9-10,12H2,(H,22,25).
What are the key properties of 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one?
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one has a molecular weight of 367.84 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 56914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).