N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

C22H23ClN4O3 — CID 154875057

IUPACN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(CNC(=O)CCl)c2ccc3ccccc3c2)c(=O)n1
InChIInChI=1S/C22H23ClN4O3/c1-14-9-15(2)27(22(30)25-14)13-21(29)26-19(12-24-20(28)11-23)18-8-7-16-5-3-4-6-17(16)10-18/h3-10,19H,11-13H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyKZOHNYKGXVLHRH-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.23
Rot. Bonds7

About N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 154875057) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID154875057
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(CNC(=O)CCl)c2ccc3ccccc3c2)c(=O)n1
InChIInChI=1S/C22H23ClN4O3/c1-14-9-15(2)27(22(30)25-14)13-21(29)26-19(12-24-20(28)11-23)18-8-7-16-5-3-4-6-17(16)10-18/h3-10,19H,11-13H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyKZOHNYKGXVLHRH-UHFFFAOYSA-N
XLogP2.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 154874910
2-tert-butyl-N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]tetrazole-5-carboxamide
CID 154875030
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7746542
tert-butyl N-[(2R)-2-naphthalen-2-yl-2-(3-pyridin-4-ylpropanoylamino)ethyl]carbamate
CID 97248440
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
CID 46968973
tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 97247580
tert-butyl N-[2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 75393204
2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72913236
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (CID 154875057) is N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC(CNC(=O)CCl)c2ccc3ccccc3c2)c(=O)n1.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is KZOHNYKGXVLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-14-9-15(2)27(22(30)25-14)13-21(29)26-19(12-24-20(28)11-23)18-8-7-16-5-3-4-6-17(16)10-18/h3-10,19H,11-13H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 154875057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).