2-benzamido-N-(3-ethynylphenyl)benzamide

C22H16N2O2 — CID 43050120

IUPAC2-benzamido-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H16N2O2/c1-2-16-9-8-12-18(15-16)23-22(26)19-13-6-7-14-20(19)24-21(25)17-10-4-3-5-11-17/h1,3-15H,(H,23,26)(H,24,25)
InChIKeyGJVHNDUURZHSMF-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.17
Rot. Bonds4

About 2-benzamido-N-(3-ethynylphenyl)benzamide

2-benzamido-N-(3-ethynylphenyl)benzamide (PubChem CID 43050120) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-benzamido-N-(3-ethynylphenyl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(3-ethynylphenyl)benzamide
PubChem CID43050120
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-benzamido-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H16N2O2/c1-2-16-9-8-12-18(15-16)23-22(26)19-13-6-7-14-20(19)24-21(25)17-10-4-3-5-11-17/h1,3-15H,(H,23,26)(H,24,25)
InChIKeyGJVHNDUURZHSMF-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
CID 24676287
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
4,6-bis[(3-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;4,6-bis[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2,5-bis[(3-ethynylphenyl)carbamoyl]terephthalic acid;2,5-bis[(4-ethynylphenyl)carbamoyl]terephthalic acid;4-[(3-ethynylphenyl)carbamoyl]-6-[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2-[(3-ethynylphenyl)carbamoyl]-5-[(4-ethynylphenyl)carbamoyl]terephthalic acid
CID 158130623
1-N,3-N-bis(3-ethynylphenyl)-5-[(3-ethynylphenyl)carbamoylamino]benzene-1,3-dicarboxamide
CID 59499518
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-ethynylphenyl)benzamide?
The IUPAC name of 2-benzamido-N-(3-ethynylphenyl)benzamide (CID 43050120) is 2-benzamido-N-(3-ethynylphenyl)benzamide.
What is the SMILES notation for 2-benzamido-N-(3-ethynylphenyl)benzamide?
The canonical SMILES for 2-benzamido-N-(3-ethynylphenyl)benzamide is C#Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzamido-N-(3-ethynylphenyl)benzamide?
The InChIKey is GJVHNDUURZHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-2-16-9-8-12-18(15-16)23-22(26)19-13-6-7-14-20(19)24-21(25)17-10-4-3-5-11-17/h1,3-15H,(H,23,26)(H,24,25).
What are the key properties of 2-benzamido-N-(3-ethynylphenyl)benzamide?
2-benzamido-N-(3-ethynylphenyl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-ethynylphenyl)benzamide is sourced from PubChem (CID 43050120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).