N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide

C12H18ClN3O3 — CID 61243364

IUPACN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H18ClN3O3/c13-9-1-2-10(14)11(7-9)15-12(19)8-16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,8,14H2,(H,15,19)
InChIKeyXKTDVBPNXJNCPY-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.15
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide

N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide (PubChem CID 61243364) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
PubChem CID61243364
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H18ClN3O3/c13-9-1-2-10(14)11(7-9)15-12(19)8-16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,8,14H2,(H,15,19)
InChIKeyXKTDVBPNXJNCPY-UHFFFAOYSA-N
XLogP0.15
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478609
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860467
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide (CID 61243364) is N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide is Nc1ccc(Cl)cc1NC(=O)CN(CCO)CCO.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The InChIKey is XKTDVBPNXJNCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c13-9-1-2-10(14)11(7-9)15-12(19)8-16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,8,14H2,(H,15,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide has a molecular weight of 287.75 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 61243364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).