2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide

C17H17N3O2 — CID 108907397

IUPAC2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide
SMILESCc1ccc(/C=C/NC(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)10-11-19-17(22)20-15-5-3-2-4-14(15)16(18)21/h2-11H,1H3,(H2,18,21)(H2,19,20,22)/b11-10+
InChIKeyZTYGIYGMFBHSFJ-ZHACJKMWSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds4

About 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide

2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide (PubChem CID 108907397) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide
PubChem CID108907397
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide
SMILESCc1ccc(/C=C/NC(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)10-11-19-17(22)20-15-5-3-2-4-14(15)16(18)21/h2-11H,1H3,(H2,18,21)(H2,19,20,22)/b11-10+
InChIKeyZTYGIYGMFBHSFJ-ZHACJKMWSA-N
XLogP2.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[(E)-2-(4-bromophenyl)ethenyl]carbamoylamino]benzoate
CID 108908681
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide?
The IUPAC name of 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide (CID 108907397) is 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide?
The canonical SMILES for 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide is Cc1ccc(/C=C/NC(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide?
The InChIKey is ZTYGIYGMFBHSFJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)10-11-19-17(22)20-15-5-3-2-4-14(15)16(18)21/h2-11H,1H3,(H2,18,21)(H2,19,20,22)/b11-10+.
What are the key properties of 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide?
2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide is sourced from PubChem (CID 108907397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).