3-(benzamidomethyl)benzoic acid;ethane

C17H19NO3 — CID 90875099

IUPAC3-(benzamidomethyl)benzoic acid;ethane
SMILESCC.O=C(O)c1cccc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3.C2H6/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19;1-2/h1-9H,10H2,(H,16,17)(H,18,19);1-2H3
InChIKeyPNXZFVRCLJAYPG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.34
Rot. Bonds4

About 3-(benzamidomethyl)benzoic acid;ethane

3-(benzamidomethyl)benzoic acid;ethane (PubChem CID 90875099) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(benzamidomethyl)benzoic acid;ethane.

Molecular Properties

Compound Name3-(benzamidomethyl)benzoic acid;ethane
PubChem CID90875099
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(benzamidomethyl)benzoic acid;ethane
SMILESCC.O=C(O)c1cccc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3.C2H6/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19;1-2/h1-9H,10H2,(H,16,17)(H,18,19);1-2H3
InChIKeyPNXZFVRCLJAYPG-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
CID 80722615
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
3-[[(5-iodothiophene-3-carbonyl)amino]methyl]benzoic acid
CID 79685448

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidomethyl)benzoic acid;ethane?
The IUPAC name of 3-(benzamidomethyl)benzoic acid;ethane (CID 90875099) is 3-(benzamidomethyl)benzoic acid;ethane.
What is the SMILES notation for 3-(benzamidomethyl)benzoic acid;ethane?
The canonical SMILES for 3-(benzamidomethyl)benzoic acid;ethane is CC.O=C(O)c1cccc(CNC(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzamidomethyl)benzoic acid;ethane?
The InChIKey is PNXZFVRCLJAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3.C2H6/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19;1-2/h1-9H,10H2,(H,16,17)(H,18,19);1-2H3.
What are the key properties of 3-(benzamidomethyl)benzoic acid;ethane?
3-(benzamidomethyl)benzoic acid;ethane has a molecular weight of 285.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidomethyl)benzoic acid;ethane is sourced from PubChem (CID 90875099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).