N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide

C22H18ClN3O2 — CID 59089747

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
SMILESC=C(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14(2)15-7-9-16(10-8-15)21(27)25-19-6-4-3-5-18(19)22(28)26-20-12-11-17(23)13-24-20/h3-13H,1H2,2H3,(H,25,27)(H,24,26,28)
InChIKeySNPASOVOIPHXDN-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.27
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide (PubChem CID 59089747) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
PubChem CID59089747
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
SMILESC=C(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14(2)15-7-9-16(10-8-15)21(27)25-19-6-4-3-5-18(19)22(28)26-20-12-11-17(23)13-24-20/h3-13H,1H2,2H3,(H,25,27)(H,24,26,28)
InChIKeySNPASOVOIPHXDN-UHFFFAOYSA-N
XLogP5.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
CID 72687525
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-(methylamino)benzamide
CID 140603963
4-acetyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60602716
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 160614519
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265
2-[[4-[N-(2-aminoethyl)-N-butylcarbamimidoyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide
CID 59639397
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane
CID 142005093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide (CID 59089747) is N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide is C=C(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?
The InChIKey is SNPASOVOIPHXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14(2)15-7-9-16(10-8-15)21(27)25-19-6-4-3-5-18(19)22(28)26-20-12-11-17(23)13-24-20/h3-13H,1H2,2H3,(H,25,27)(H,24,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide has a molecular weight of 391.86 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 59089747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).