2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid

C17H15NO3 — CID 151893733

IUPAC2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid
SMILESC=Cc1ccc(Cc2cccc(C(N)=O)c2C(=O)O)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(16(18)19)15(13)17(20)21/h2-9H,1,10H2,(H2,18,19)(H,20,21)
InChIKeySRGUVPODWHIMFC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.72
Rot. Bonds5

About 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid

2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid (PubChem CID 151893733) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid
PubChem CID151893733
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid
SMILESC=Cc1ccc(Cc2cccc(C(N)=O)c2C(=O)O)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(16(18)19)15(13)17(20)21/h2-9H,1,10H2,(H2,18,19)(H,20,21)
InChIKeySRGUVPODWHIMFC-UHFFFAOYSA-N
XLogP2.72
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
CID 174922883
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis(ethenyl)benzene;urea
CID 18766675
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
3-[(2,3-dicarboxyphenyl)methyl]phthalic acid;4-[(3,4-dicarboxyphenyl)methyl]phthalic acid
CID 158991172
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
1-(4-ethenylphenyl)propan-2-one
CID 70398942
2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
CID 54324014
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid?
The IUPAC name of 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid (CID 151893733) is 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid?
The canonical SMILES for 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid is C=Cc1ccc(Cc2cccc(C(N)=O)c2C(=O)O)cc1.
What is the InChIKey of 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid?
The InChIKey is SRGUVPODWHIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(16(18)19)15(13)17(20)21/h2-9H,1,10H2,(H2,18,19)(H,20,21).
What are the key properties of 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid?
2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid is sourced from PubChem (CID 151893733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).