2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide

C13H17ClN2O4 — CID 43328839

IUPAC2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-9-5-6-11(20-4-2)10(7-9)15-13(18)16-12(17)8-14/h5-7H,3-4,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOLOTCODGBEVCV-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.37
Rot. Bonds6

About 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide

2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide (PubChem CID 43328839) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
PubChem CID43328839
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-9-5-6-11(20-4-2)10(7-9)15-13(18)16-12(17)8-14/h5-7H,3-4,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOLOTCODGBEVCV-UHFFFAOYSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-chloro-N-(2,4-diethoxyphenyl)acetamide
CID 166409021
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide (CID 43328839) is 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide is CCOc1ccc(OCC)c(NC(=O)NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide?
The InChIKey is NOLOTCODGBEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-19-9-5-6-11(20-4-2)10(7-9)15-13(18)16-12(17)8-14/h5-7H,3-4,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide?
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide has a molecular weight of 300.74 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43328839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).