cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone

C19H24Cl2N2O2 — CID 108543908

IUPACcyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H24Cl2N2O2/c20-16-8-7-15(13-17(16)21)19(25)23-10-4-9-22(11-12-23)18(24)14-5-2-1-3-6-14/h7-8,13-14H,1-6,9-12H2
InChIKeyZMNMTTXWAKXFOC-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.25
Rot. Bonds2

About cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone

cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 108543908) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID108543908
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Namecyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H24Cl2N2O2/c20-16-8-7-15(13-17(16)21)19(25)23-10-4-9-22(11-12-23)18(24)14-5-2-1-3-6-14/h7-8,13-14H,1-6,9-12H2
InChIKeyZMNMTTXWAKXFOC-UHFFFAOYSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
tert-butyl 4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 55634686
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544690
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
4-[4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720933
(3,4-dichlorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543920

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone (CID 108543908) is cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is ZMNMTTXWAKXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c20-16-8-7-15(13-17(16)21)19(25)23-10-4-9-22(11-12-23)18(24)14-5-2-1-3-6-14/h7-8,13-14H,1-6,9-12H2.
What are the key properties of cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone?
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 383.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 108543908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).