N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide

C20H17ClFN3O — CID 18378798

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(NCCc2ccccc2)c(F)c1
InChIInChI=1S/C20H17ClFN3O/c21-19-9-7-16(13-24-19)25-20(26)15-6-8-18(17(22)12-15)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,25,26)
InChIKeyUCTKGDBXYMNFMF-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.78
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide (PubChem CID 18378798) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide
PubChem CID18378798
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(NCCc2ccccc2)c(F)c1
InChIInChI=1S/C20H17ClFN3O/c21-19-9-7-16(13-24-19)25-20(26)15-6-8-18(17(22)12-15)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,25,26)
InChIKeyUCTKGDBXYMNFMF-UHFFFAOYSA-N
XLogP4.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 9865384
CID 9865384
CID 12136798
CID 12136798
CID 9903497
CID 9903497
CID 9800555
CID 9800555
CID 9797919
CID 9797919
CID 5121684
CID 5121684
CID 11712071
CID 11712071
CID 587129
CID 587129
CID 762535
CID 762535
CID 771964
CID 771964
CID 599595
CID 599595
CID 121317995
CID 121317995

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide (CID 18378798) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(NCCc2ccccc2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide?
The InChIKey is UCTKGDBXYMNFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-19-9-7-16(13-24-19)25-20(26)15-6-8-18(17(22)12-15)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,25,26).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide has a molecular weight of 369.83 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-phenylethylamino)benzamide is sourced from PubChem (CID 18378798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).