2-(1-phenylethyl)benzene-1,3-dicarboxamide

C16H16N2O2 — CID 68956962

IUPAC2-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(c1ccccc1)c1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C16H16N2O2/c1-10(11-6-3-2-4-7-11)14-12(15(17)19)8-5-9-13(14)16(18)20/h2-10H,1H3,(H2,17,19)(H2,18,20)
InChIKeyUCJNQMMKRSENGJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds4

About 2-(1-phenylethyl)benzene-1,3-dicarboxamide

2-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 68956962) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID68956962
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(c1ccccc1)c1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C16H16N2O2/c1-10(11-6-3-2-4-7-11)14-12(15(17)19)8-5-9-13(14)16(18)20/h2-10H,1H3,(H2,17,19)(H2,18,20)
InChIKeyUCJNQMMKRSENGJ-UHFFFAOYSA-N
XLogP2.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(1-phenylethyl)benzamide
CID 135263539
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
3-nitro-2-(1-phenylethyl)benzenecarboperoxoic acid
CID 87332782
3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988907
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 68956962) is 2-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(1-phenylethyl)benzene-1,3-dicarboxamide is CC(c1ccccc1)c1c(C(N)=O)cccc1C(N)=O.
What is the InChIKey of 2-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is UCJNQMMKRSENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(11-6-3-2-4-7-11)14-12(15(17)19)8-5-9-13(14)16(18)20/h2-10H,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 2-(1-phenylethyl)benzene-1,3-dicarboxamide?
2-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 68956962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).