3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

C17H16Cl2N2O2 — CID 40719079

IUPAC3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyNJMQXDOPRPGGNU-NSHDSACASA-N
MW351.23 g/mol
LogP3.60
Rot. Bonds5

About 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 40719079) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID40719079
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyNJMQXDOPRPGGNU-NSHDSACASA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 40719079) is 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is NJMQXDOPRPGGNU-NSHDSACASA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 40719079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).