2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide

C11H14ClN3O4 — CID 28966876

IUPAC2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
SMILESCOc1cc(CN)cc(Cl)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H14ClN3O4/c1-18-8-3-6(4-13)2-7(12)10(8)19-5-9(16)15-11(14)17/h2-3H,4-5,13H2,1H3,(H3,14,15,16,17)
InChIKeyPHKAWUQRERWWIT-UHFFFAOYSA-N
MW287.70 g/mol
LogP0.38
Rot. Bonds5

About 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide

2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide (PubChem CID 28966876) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
PubChem CID28966876
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
SMILESCOc1cc(CN)cc(Cl)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H14ClN3O4/c1-18-8-3-6(4-13)2-7(12)10(8)19-5-9(16)15-11(14)17/h2-3H,4-5,13H2,1H3,(H3,14,15,16,17)
InChIKeyPHKAWUQRERWWIT-UHFFFAOYSA-N
XLogP0.38
TPSA116.67 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 ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898007
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide (CID 28966876) is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide is COc1cc(CN)cc(Cl)c1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide?
The InChIKey is PHKAWUQRERWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-18-8-3-6(4-13)2-7(12)10(8)19-5-9(16)15-11(14)17/h2-3H,4-5,13H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide?
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide has a molecular weight of 287.70 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 28966876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).