acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide

C23H16ClN3O2 — CID 142175051

IUPACacetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide
SMILESC#C.C#Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)nc1
InChIInChI=1S/C21H14ClN3O2.C2H2/c1-2-14-8-11-19(23-13-14)25-21(27)17-12-16(22)9-10-18(17)24-20(26)15-6-4-3-5-7-15;1-2/h1,3-13H,(H,24,26)(H,23,25,27);1-2H
InChIKeyPXHOTOMZBVFXAE-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.47
Rot. Bonds4

About acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide

acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide (PubChem CID 142175051) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Nameacetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide
PubChem CID142175051
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Nameacetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide
SMILESC#C.C#Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)nc1
InChIInChI=1S/C21H14ClN3O2.C2H2/c1-2-14-8-11-19(23-13-14)25-21(27)17-12-16(22)9-10-18(17)24-20(26)15-6-4-3-5-7-15;1-2/h1,3-13H,(H,24,26)(H,23,25,27);1-2H
InChIKeyPXHOTOMZBVFXAE-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(5-ethynyl-2-pyridinyl)-2-[[4-(N-methyl-N-prop-2-ynylcarbamimidoyl)benzoyl]amino]benzamide
CID 10140051
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
CID 22601675
N-[4-chloro-2-[(5-ethynyl-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10115724
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
CID 89432643
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829

Frequently Asked Questions

What is the IUPAC name of acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide?
The IUPAC name of acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide (CID 142175051) is acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide.
What is the SMILES notation for acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide?
The canonical SMILES for acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide is C#C.C#Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)nc1.
What is the InChIKey of acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide?
The InChIKey is PXHOTOMZBVFXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2.C2H2/c1-2-14-8-11-19(23-13-14)25-21(27)17-12-16(22)9-10-18(17)24-20(26)15-6-4-3-5-7-15;1-2/h1,3-13H,(H,24,26)(H,23,25,27);1-2H.
What are the key properties of acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide?
acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide has a molecular weight of 401.85 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide is sourced from PubChem (CID 142175051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).