N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide

C11H14ClN3O4 — CID 28572784

IUPACN-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)c(OC)cc1Cl
InChIInChI=1S/C11H14ClN3O4/c1-18-8-4-7(9(19-2)3-6(8)12)14-5-10(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyLGNCUBPCACSVIE-UHFFFAOYSA-N
MW287.70 g/mol
LogP0.96
Rot. Bonds5

About N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide

N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide (PubChem CID 28572784) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
PubChem CID28572784
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC NameN-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)c(OC)cc1Cl
InChIInChI=1S/C11H14ClN3O4/c1-18-8-4-7(9(19-2)3-6(8)12)14-5-10(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyLGNCUBPCACSVIE-UHFFFAOYSA-N
XLogP0.96
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-cyanoethyl)acetamide
CID 28572795
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide (CID 28572784) is N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide is COc1cc(NCC(=O)NC(N)=O)c(OC)cc1Cl.
What is the InChIKey of N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The InChIKey is LGNCUBPCACSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-18-8-4-7(9(19-2)3-6(8)12)14-5-10(16)15-11(13)17/h3-4,14H,5H2,1-2H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide has a molecular weight of 287.70 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 28572784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).