4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide

C16H21ClN2O4 — CID 119039762

IUPAC4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1(CCO)CCOC1
InChIInChI=1S/C16H21ClN2O4/c1-11(18-15(22)12-2-4-13(17)5-3-12)14(21)19-16(6-8-20)7-9-23-10-16/h2-5,11,20H,6-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyZPKUJYWEYHBELT-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.12
Rot. Bonds6

About 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 119039762) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID119039762
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1(CCO)CCOC1
InChIInChI=1S/C16H21ClN2O4/c1-11(18-15(22)12-2-4-13(17)5-3-12)14(21)19-16(6-8-20)7-9-23-10-16/h2-5,11,20H,6-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyZPKUJYWEYHBELT-UHFFFAOYSA-N
XLogP1.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide 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

(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide
CID 100680844
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-chloro-N-[1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119503902
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 112817108
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide (CID 119039762) is 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1(CCO)CCOC1.
What is the InChIKey of 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is ZPKUJYWEYHBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-11(18-15(22)12-2-4-13(17)5-3-12)14(21)19-16(6-8-20)7-9-23-10-16/h2-5,11,20H,6-10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 340.81 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119039762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).