2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide

C19H18ClN3O2 — CID 55583536

IUPAC2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(15-9-7-14(11-21)8-10-15)22-18(24)13(2)23-19(25)16-5-3-4-6-17(16)20/h3-10,12-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYDFYLUSZIEGRA-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55583536) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55583536
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(15-9-7-14(11-21)8-10-15)22-18(24)13(2)23-19(25)16-5-3-4-6-17(16)20/h3-10,12-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYDFYLUSZIEGRA-UHFFFAOYSA-N
XLogP3.21
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide (CID 55583536) is 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is VYDFYLUSZIEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(15-9-7-14(11-21)8-10-15)22-18(24)13(2)23-19(25)16-5-3-4-6-17(16)20/h3-10,12-13H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55583536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).