N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide

C18H19N5O3 — CID 86807540

IUPACN-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2)c1)NN1CCCNC1=O
InChIInChI=1S/C18H19N5O3/c24-16(13-6-2-1-3-7-13)20-14-8-4-9-15(12-14)21-17(25)22-23-11-5-10-19-18(23)26/h1-4,6-9,12H,5,10-11H2,(H,19,26)(H,20,24)(H2,21,22,25)
InChIKeyYLOREBZENUAUDT-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.39
Rot. Bonds4

About N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide

N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide (PubChem CID 86807540) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide
PubChem CID86807540
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2)c1)NN1CCCNC1=O
InChIInChI=1S/C18H19N5O3/c24-16(13-6-2-1-3-7-13)20-14-8-4-9-15(12-14)21-17(25)22-23-11-5-10-19-18(23)26/h1-4,6-9,12H,5,10-11H2,(H,19,26)(H,20,24)(H2,21,22,25)
InChIKeyYLOREBZENUAUDT-UHFFFAOYSA-N
XLogP2.39
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 167967420
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N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
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3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
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3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoylamino)phenyl]benzamide
CID 51116724
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
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CID 58602789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide (CID 86807540) is N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccccc2)c1)NN1CCCNC1=O.
What is the InChIKey of N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide?
The InChIKey is YLOREBZENUAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-16(13-6-2-1-3-7-13)20-14-8-4-9-15(12-14)21-17(25)22-23-11-5-10-19-18(23)26/h1-4,6-9,12H,5,10-11H2,(H,19,26)(H,20,24)(H2,21,22,25).
What are the key properties of N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide?
N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-diazinan-1-yl)carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 86807540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).