3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide

C12H17ClN2O2 — CID 102669675

IUPAC3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
SMILESCCN(CCO)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17)
InChIKeyPCBLAEIQBNHWRE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.25
Rot. Bonds6

About 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide

3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide (PubChem CID 102669675) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
PubChem CID102669675
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
SMILESCCN(CCO)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17)
InChIKeyPCBLAEIQBNHWRE-UHFFFAOYSA-N
XLogP1.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
CID 62021395
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
CID 102669681
methyl 4-chloro-3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 110027527
2-[(2-chloro-4-nitrophenyl)methyl-ethylamino]ethanol
CID 62021414
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzamide
CID 62020933
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
CID 102668628
2-[(4-carbamothioyl-2-chlorophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 102666131
2-[(4-carbamoyl-2-chlorophenyl)methyl-prop-2-enylamino]acetic acid
CID 102669043
1-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052414
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
CID 102663095

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide (CID 102669675) is 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide is CCN(CCO)Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide?
The InChIKey is PCBLAEIQBNHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-15(5-6-16)8-10-4-3-9(12(14)17)7-11(10)13/h3-4,7,16H,2,5-6,8H2,1H3,(H2,14,17).
What are the key properties of 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide?
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 102669675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).