4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide

C18H19ClN2O2 — CID 17400868

IUPAC4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
SMILESCC(CNC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(14-5-3-2-4-6-14)11-20-17(22)12-21-18(23)15-7-9-16(19)10-8-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVJALQYDKCRUJLF-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.99
Rot. Bonds6

About 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide

4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide (PubChem CID 17400868) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
PubChem CID17400868
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
SMILESCC(CNC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(14-5-3-2-4-6-14)11-20-17(22)12-21-18(23)15-7-9-16(19)10-8-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVJALQYDKCRUJLF-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide (CID 17400868) is 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide is CC(CNC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide?
The InChIKey is VJALQYDKCRUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(14-5-3-2-4-6-14)11-20-17(22)12-21-18(23)15-7-9-16(19)10-8-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide?
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide is sourced from PubChem (CID 17400868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).