N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide

C18H15ClF3N3O2 — CID 155294849

IUPACN-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H15ClF3N3O2/c19-13-8-12(2-4-14(13)20)23-18(27)24-6-5-17(26)25(10-24)9-11-1-3-15(21)16(22)7-11/h1-4,7-8H,5-6,9-10H2,(H,23,27)
InChIKeyAHCSMHBFSYIGOT-UHFFFAOYSA-N
MW397.78 g/mol
LogP3.98
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide (PubChem CID 155294849) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide
PubChem CID155294849
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H15ClF3N3O2/c19-13-8-12(2-4-14(13)20)23-18(27)24-6-5-17(26)25(10-24)9-11-1-3-15(21)16(22)7-11/h1-4,7-8H,5-6,9-10H2,(H,23,27)
InChIKeyAHCSMHBFSYIGOT-UHFFFAOYSA-N
XLogP3.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42109537
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
3-[(2,4-difluorophenyl)methyl]-4-oxo-N-(3,4,5-trifluorophenyl)-1,3-diazinane-1-carboxamide
CID 155294870
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-2,4-dione
CID 79516488
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
CID 79515942
N-(3-chloro-4-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145264

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide (CID 155294849) is N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide is O=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide?
The InChIKey is AHCSMHBFSYIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-13-8-12(2-4-14(13)20)23-18(27)24-6-5-17(26)25(10-24)9-11-1-3-15(21)16(22)7-11/h1-4,7-8H,5-6,9-10H2,(H,23,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide has a molecular weight of 397.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 155294849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).