N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

C14H14ClN3O3 — CID 108801689

IUPACN-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14ClN3O3/c1-9-8-10(15)2-3-11(9)16-12(19)4-6-18-7-5-13(20)17-14(18)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyNSPHCEDQUJGHSO-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.53
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108801689) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108801689
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14ClN3O3/c1-9-8-10(15)2-3-11(9)16-12(19)4-6-18-7-5-13(20)17-14(18)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyNSPHCEDQUJGHSO-UHFFFAOYSA-N
XLogP1.53
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
3-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylbenzoic acid
CID 108801568
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801659
N-tert-butyl-3-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-methylbenzamide
CID 50963284
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108801689) is N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is NSPHCEDQUJGHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9-8-10(15)2-3-11(9)16-12(19)4-6-18-7-5-13(20)17-14(18)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,19)(H,17,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 307.74 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108801689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).