3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide

C18H19Cl2N3O — CID 5043777

IUPAC3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2N3O/c19-16-8-7-15(11-17(16)20)21-18(24)23-10-4-9-22(13-23)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)
InChIKeyKDZVPNHAGBDORE-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.69
Rot. Bonds3

About 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide

3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide (PubChem CID 5043777) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
PubChem CID5043777
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2N3O/c19-16-8-7-15(11-17(16)20)21-18(24)23-10-4-9-22(13-23)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)
InChIKeyKDZVPNHAGBDORE-UHFFFAOYSA-N
XLogP4.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide
CID 52933548
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
CID 7359826
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide
CID 102437931

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide?
The IUPAC name of 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide (CID 5043777) is 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide?
The InChIKey is KDZVPNHAGBDORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-16-8-7-15(11-17(16)20)21-18(24)23-10-4-9-22(13-23)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24).
What are the key properties of 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide?
3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 5043777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).