(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H14ClF2N3O2 — CID 8812872

IUPAC(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2c(F)cccc2F)NC(=O)N1
InChIInChI=1S/C18H14ClF2N3O2/c1-9-14(17(25)23-11-5-2-4-10(19)8-11)16(24-18(26)22-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1
InChIKeyRAVSSVLQKPSYPM-MRXNPFEDSA-N
MW377.78 g/mol
LogP3.88
Rot. Bonds3

About (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 8812872) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID8812872
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2c(F)cccc2F)NC(=O)N1
InChIInChI=1S/C18H14ClF2N3O2/c1-9-14(17(25)23-11-5-2-4-10(19)8-11)16(24-18(26)22-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1
InChIKeyRAVSSVLQKPSYPM-MRXNPFEDSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7816595
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
4-(2,6-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2922091
(4S)-N-(3-chlorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124297
(4S)-N-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124503
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401847
(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843
4-(2,6-difluorophenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5084339
(4S)-4-(2,6-difluorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8005259
(4S)-4-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8652783
(4S)-4-(2,6-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1235054
methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate
CID 166340030

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 8812872) is (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2c(F)cccc2F)NC(=O)N1.
What is the InChIKey of (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RAVSSVLQKPSYPM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c1-9-14(17(25)23-11-5-2-4-10(19)8-11)16(24-18(26)22-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1.
What are the key properties of (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 8812872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).