2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide

C11H14ClN3O3 — CID 106233283

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
SMILESNC(=O)COCCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H14ClN3O3/c12-7-2-1-3-8(13)10(7)11(17)15-4-5-18-6-9(14)16/h1-3H,4-6,13H2,(H2,14,16)(H,15,17)
InChIKeyFTUAKIQNWRDWRU-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.15
Rot. Bonds6

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide (PubChem CID 106233283) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
PubChem CID106233283
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
SMILESNC(=O)COCCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H14ClN3O3/c12-7-2-1-3-8(13)10(7)11(17)15-4-5-18-6-9(14)16/h1-3H,4-6,13H2,(H2,14,16)(H,15,17)
InChIKeyFTUAKIQNWRDWRU-UHFFFAOYSA-N
XLogP0.15
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
CID 103819811
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide (CID 106233283) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide is NC(=O)COCCNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide?
The InChIKey is FTUAKIQNWRDWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-7-2-1-3-8(13)10(7)11(17)15-4-5-18-6-9(14)16/h1-3H,4-6,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide has a molecular weight of 271.70 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide is sourced from PubChem (CID 106233283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).