N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C18H16ClN3O3 — CID 56875169

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)c(=O)[nH]1
InChIInChI=1S/C18H16ClN3O3/c1-11-20-9-13(18(24)22-11)8-17(23)21-10-15-5-6-16(25-15)12-3-2-4-14(19)7-12/h2-7,9H,8,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyMKWQRWBHDHMQDT-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.85
Rot. Bonds5

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56875169) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56875169
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)c(=O)[nH]1
InChIInChI=1S/C18H16ClN3O3/c1-11-20-9-13(18(24)22-11)8-17(23)21-10-15-5-6-16(25-15)12-3-2-4-14(19)7-12/h2-7,9H,8,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyMKWQRWBHDHMQDT-UHFFFAOYSA-N
XLogP2.85
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9119889
(7S)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124756534
2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]-4-methylpentanoic acid
CID 66528004
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
CID 163328000
4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17332186
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 56875169) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1ncc(CC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)c(=O)[nH]1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is MKWQRWBHDHMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-20-9-13(18(24)22-11)8-17(23)21-10-15-5-6-16(25-15)12-3-2-4-14(19)7-12/h2-7,9H,8,10H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56875169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).