N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide

C19H13Cl3N2O — CID 130288420

IUPACN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C19H13Cl3N2O/c20-14-7-9-17(23-11-14)18(13-6-8-15(21)16(22)10-13)24-19(25)12-4-2-1-3-5-12/h1-11,18H,(H,24,25)/t18-/m0/s1
InChIKeyXSJFFJYURSJQIA-SFHVURJKSA-N
MW391.69 g/mol
LogP5.56
Rot. Bonds4

About N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide (PubChem CID 130288420) has the molecular formula C19H13Cl3N2O and a molecular weight of 391.69 g/mol. Its IUPAC name is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
PubChem CID130288420
Molecular FormulaC19H13Cl3N2O
Molecular Weight391.69 g/mol
Exact Mass390.01
IUPAC NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C19H13Cl3N2O/c20-14-7-9-17(23-11-14)18(13-6-8-15(21)16(22)10-13)24-19(25)12-4-2-1-3-5-12/h1-11,18H,(H,24,25)/t18-/m0/s1
InChIKeyXSJFFJYURSJQIA-SFHVURJKSA-N
XLogP5.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
CID 130288596
3-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyanobenzamide
CID 130288359
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-isocyanothiophene-2-carboxamide
CID 140801895
1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 145056400
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 130288434
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
2-(3-chlorophenyl)-N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-oxopentanamide
CID 158750255
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050827
4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679470

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide (CID 130288420) is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide is O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide?
The InChIKey is XSJFFJYURSJQIA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H13Cl3N2O/c20-14-7-9-17(23-11-14)18(13-6-8-15(21)16(22)10-13)24-19(25)12-4-2-1-3-5-12/h1-11,18H,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide?
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide has a molecular weight of 391.69 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 130288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).