N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H15ClN4O3 — CID 86285269

IUPACN-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1=O
InChIInChI=1S/C16H15ClN4O3/c1-21-15(23)10(7-19-16(21)24)6-14(22)18-8-12-5-9-4-11(17)2-3-13(9)20-12/h2-5,7,20H,6,8H2,1H3,(H,18,22)(H,19,24)
InChIKeyUBMRUVIJKVAXRI-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.07
Rot. Bonds4

About N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 86285269) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID86285269
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1=O
InChIInChI=1S/C16H15ClN4O3/c1-21-15(23)10(7-19-16(21)24)6-14(22)18-8-12-5-9-4-11(17)2-3-13(9)20-12/h2-5,7,20H,6,8H2,1H3,(H,18,22)(H,19,24)
InChIKeyUBMRUVIJKVAXRI-UHFFFAOYSA-N
XLogP1.07
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91760252
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56711559
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42288429
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
CID 997399
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91768357
N-[(5-chloro-1H-indol-2-yl)methyl]butan-1-amine
CID 134859783
(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 843728

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 86285269) is N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cn1c(=O)[nH]cc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1=O.
What is the InChIKey of N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is UBMRUVIJKVAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-21-15(23)10(7-19-16(21)24)6-14(22)18-8-12-5-9-4-11(17)2-3-13(9)20-12/h2-5,7,20H,6,8H2,1H3,(H,18,22)(H,19,24).
What are the key properties of N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1H-indol-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 86285269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).