N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide

C18H15Cl2N3O2 — CID 123588567

IUPACN-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccccc2)C1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-10-14(17(24)22-13-9-5-8-12(19)15(13)20)16(23-18(25)21-10)11-6-3-2-4-7-11/h2-9,14,16H,1H3,(H,22,24)(H,23,25)
InChIKeyDRTOMMOQJQURBN-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.47
Rot. Bonds3

About N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 123588567) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID123588567
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2ccccc2)C1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-10-14(17(24)22-13-9-5-8-12(19)15(13)20)16(23-18(25)21-10)11-6-3-2-4-7-11/h2-9,14,16H,1H3,(H,22,24)(H,23,25)
InChIKeyDRTOMMOQJQURBN-UHFFFAOYSA-N
XLogP4.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91046267
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134147879
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
ethyl 6-(3-chlorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91049028
N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
CID 134149976
N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91217504
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
(7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902840
N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690503

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 123588567) is N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccccc2)C1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is DRTOMMOQJQURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-10-14(17(24)22-13-9-5-8-12(19)15(13)20)16(23-18(25)21-10)11-6-3-2-4-7-11/h2-9,14,16H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 123588567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).