N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide

C19H18ClN3O4 — CID 92688274

IUPACN-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-8-7-11(9-16(15)27-2)18(25)23-19-21-14(10-17(24)22-19)12-5-3-4-6-13(12)20/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1
InChIKeyKYCWHAVVFBVXPX-CQSZACIVSA-N
MW387.82 g/mol
LogP2.70
Rot. Bonds4

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

N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide (PubChem CID 92688274) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
PubChem CID92688274
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-8-7-11(9-16(15)27-2)18(25)23-19-21-14(10-17(24)22-19)12-5-3-4-6-13(12)20/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1
InChIKeyKYCWHAVVFBVXPX-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-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655561
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-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
CID 92688313
N-[4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-(dimethylamino)benzamide
CID 20905488
N-[(4S)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 92705396
N-[4-(4-ethoxy-3-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-4-methylbenzamide
CID 20905457
N-[(4R)-4-(2-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]pyridine-3-carboxamide
CID 92705373
3-chloro-N-[(4S)-4-(4-ethylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655536
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 22426275
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide (CID 92688274) is N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)cc1OC.
What is the InChIKey of N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is KYCWHAVVFBVXPX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-26-15-8-7-11(9-16(15)27-2)18(25)23-19-21-14(10-17(24)22-19)12-5-3-4-6-13(12)20/h3-9,14H,10H2,1-2H3,(H2,21,22,23,24,25)/t14-/m1/s1.
What are the key properties of N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide?
N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide 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 N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 92688274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).