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

C16H16N2O2 — CID 22396198

IUPAC2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-11(12-7-3-2-4-8-12)18-16(20)14-10-6-5-9-13(14)15(17)19/h2-11H,1H3,(H2,17,19)(H,18,20)
InChIKeyMNWBNJBKICFKKJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds4

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

2-N-(1-phenylethyl)benzene-1,2-dicarboxamide (PubChem CID 22396198) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
PubChem CID22396198
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-11(12-7-3-2-4-8-12)18-16(20)14-10-6-5-9-13(14)15(17)19/h2-11H,1H3,(H2,17,19)(H,18,20)
InChIKeyMNWBNJBKICFKKJ-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10531743
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide (CID 22396198) is 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide is CC(NC(=O)c1ccccc1C(N)=O)c1ccccc1.
What is the InChIKey of 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The InChIKey is MNWBNJBKICFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(12-7-3-2-4-8-12)18-16(20)14-10-6-5-9-13(14)15(17)19/h2-11H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-phenylethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 22396198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).