3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

C19H18ClN3O4 — CID 92655561

IUPAC3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCOc1cccc([C@H]2CC(=O)NC(NC(=O)c3cccc(Cl)c3)=N2)c1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-8-4-7-13(17(15)27-2)14-10-16(24)22-19(21-14)23-18(25)11-5-3-6-12(20)9-11/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1
InChIKeyHZBBSUPMGRVZGQ-CQSZACIVSA-N
MW387.82 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (PubChem CID 92655561) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
PubChem CID92655561
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
SMILESCOc1cccc([C@H]2CC(=O)NC(NC(=O)c3cccc(Cl)c3)=N2)c1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-8-4-7-13(17(15)27-2)14-10-16(24)22-19(21-14)23-18(25)11-5-3-6-12(20)9-11/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1
InChIKeyHZBBSUPMGRVZGQ-CQSZACIVSA-N
XLogP2.70
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 20905465
3-chloro-N-[(4S)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92705406
N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 92688274
3-chloro-N-[(4S)-4-(4-ethylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655536
N-[4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-(dimethylamino)benzamide
CID 20905488
N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
CID 92688313
N-[4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 20905434
N-[(4S)-4-(2-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 92705354
N-[(4R)-4-(2-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]pyridine-3-carboxamide
CID 92705373
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-[4-(4-ethylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-fluorobenzamide
CID 20905361
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide (CID 92655561) is 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is COc1cccc([C@H]2CC(=O)NC(NC(=O)c3cccc(Cl)c3)=N2)c1OC.
What is the InChIKey of 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
The InChIKey is HZBBSUPMGRVZGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-26-15-8-4-7-13(17(15)27-2)14-10-16(24)22-19(21-14)23-18(25)11-5-3-6-12(20)9-11/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide?
3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide has a molecular weight of 387.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide is sourced from PubChem (CID 92655561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).