N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide

C18H13ClN2O2 — CID 837045

IUPACN-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O2/c19-17-16(7-4-12-20-17)21-18(22)13-8-10-15(11-9-13)23-14-5-2-1-3-6-14/h1-12H,(H,21,22)
InChIKeyBNKZDPRVAJTUNW-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.78
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide

N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide (PubChem CID 837045) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
PubChem CID837045
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC NameN-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O2/c19-17-16(7-4-12-20-17)21-18(22)13-8-10-15(11-9-13)23-14-5-2-1-3-6-14/h1-12H,(H,21,22)
InChIKeyBNKZDPRVAJTUNW-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-[2-(1-hydroxyethyl)phenyl]-4-phenoxybenzamide
CID 110885288

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide (CID 837045) is N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide is O=C(Nc1cccnc1Cl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide?
The InChIKey is BNKZDPRVAJTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-17-16(7-4-12-20-17)21-18(22)13-8-10-15(11-9-13)23-14-5-2-1-3-6-14/h1-12H,(H,21,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide?
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide has a molecular weight of 324.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide is sourced from PubChem (CID 837045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).