N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C16H18ClFN4O2 — CID 2952265

IUPACN-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(F)c(Cl)c2)N=C(N2CCCCC2)N1
InChIInChI=1S/C16H18ClFN4O2/c17-11-8-10(4-5-12(11)18)19-15(24)13-9-14(23)21-16(20-13)22-6-2-1-3-7-22/h4-5,8,13H,1-3,6-7,9H2,(H,19,24)(H,20,21,23)
InChIKeyGOHMJSRTRMQFNI-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.15
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2952265) has the molecular formula C16H18ClFN4O2 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2952265
Molecular FormulaC16H18ClFN4O2
Molecular Weight352.80 g/mol
Exact Mass352.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(F)c(Cl)c2)N=C(N2CCCCC2)N1
InChIInChI=1S/C16H18ClFN4O2/c17-11-8-10(4-5-12(11)18)19-15(24)13-9-14(23)21-16(20-13)22-6-2-1-3-7-22/h4-5,8,13H,1-3,6-7,9H2,(H,19,24)(H,20,21,23)
InChIKeyGOHMJSRTRMQFNI-UHFFFAOYSA-N
XLogP2.15
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-oxo-2-(1-piperidinyl)-1,4,5,6-tetrahydro-4-pyrimidinecarboxamide
CID 2953291
2-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxotetrahydro-1(2H)-pyrazinecarboxamide
CID 2813930
(3E)-1-(3-chlorophenyl)-3-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
CID 136082888
(3E)-1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136106126
(3E)-1-(3-chlorophenyl)-3-(1-ethyl-4-oxo-1,3-diazinan-2-ylidene)urea
CID 136254205
2,4-diamino-5-(3-chlorophenyl)-N-(4-fluorophenyl)-1,3,5,9-tetrazaspiro[5.5]undeca-1,3-diene-9-carboxamide
CID 145949793
(3S)-1-[4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide
CID 178318445
N-(3-chloro-4-fluorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 16459620
2-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-3-oxo-N-phenyl-1-piperazinecarboxamide
CID 2954998
6-oxo-N-phenyl-2-(1-piperidinyl)-3,4,5,6-tetrahydro-4-pyrimidinecarboxamide
CID 2958086
N-(4-chlorophenyl)-2-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-3-oxopiperazine-1-carboxamide
CID 2982732
2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2983754

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2952265) is N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is O=C1CC(C(=O)Nc2ccc(F)c(Cl)c2)N=C(N2CCCCC2)N1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is GOHMJSRTRMQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O2/c17-11-8-10(4-5-12(11)18)19-15(24)13-9-14(23)21-16(20-13)22-6-2-1-3-7-22/h4-5,8,13H,1-3,6-7,9H2,(H,19,24)(H,20,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 352.80 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2952265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).