3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide

C11H15ClN2O3 — CID 112575679

IUPAC3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1cccc(C(=O)N(CCO)CCO)c1Cl
InChIInChI=1S/C11H15ClN2O3/c12-10-8(2-1-3-9(10)13)11(17)14(4-6-15)5-7-16/h1-3,15-16H,4-7,13H2
InChIKeyHEGOTUUPLKVSML-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.35
Rot. Bonds5

About 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide

3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 112575679) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID112575679
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1cccc(C(=O)N(CCO)CCO)c1Cl
InChIInChI=1S/C11H15ClN2O3/c12-10-8(2-1-3-9(10)13)11(17)14(4-6-15)5-7-16/h1-3,15-16H,4-7,13H2
InChIKeyHEGOTUUPLKVSML-UHFFFAOYSA-N
XLogP0.35
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N,N-bis(cyanomethyl)benzamide
CID 112574281
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82325307
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
3-hydroxypropyl 3-amino-2-chlorobenzoate
CID 112580309
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide (CID 112575679) is 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide is Nc1cccc(C(=O)N(CCO)CCO)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is HEGOTUUPLKVSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c12-10-8(2-1-3-9(10)13)11(17)14(4-6-15)5-7-16/h1-3,15-16H,4-7,13H2.
What are the key properties of 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide?
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 258.70 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 112575679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).