4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide

C19H11Cl3F2N2O — CID 130288176

IUPAC4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H11Cl3F2N2O/c20-12-5-3-10(8-15(12)23)17(18-14(22)2-1-7-25-18)26-19(27)11-4-6-13(21)16(24)9-11/h1-9,17H,(H,26,27)/t17-/m0/s1
InChIKeyCKFXRLYHGMQBOY-KRWDZBQOSA-N
MW427.67 g/mol
LogP5.84
Rot. Bonds4

About 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide

4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide (PubChem CID 130288176) has the molecular formula C19H11Cl3F2N2O and a molecular weight of 427.67 g/mol. Its IUPAC name is 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
PubChem CID130288176
Molecular FormulaC19H11Cl3F2N2O
Molecular Weight427.67 g/mol
Exact Mass425.99
IUPAC Name4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H11Cl3F2N2O/c20-12-5-3-10(8-15(12)23)17(18-14(22)2-1-7-25-18)26-19(27)11-4-6-13(21)16(24)9-11/h1-9,17H,(H,26,27)/t17-/m0/s1
InChIKeyCKFXRLYHGMQBOY-KRWDZBQOSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide with MolForge

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-isoquinolin-1-ylmethyl]-4-cyano-3-fluorobenzamide
CID 166687529
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71144078
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
N-[(S)-(4-chloro-3-fluorophenyl)-(5-chloro-3-fluoro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 139548512
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288163
4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
CID 130288181
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpyridine-4-carboxamide
CID 71144025
methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
CID 97061708
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 90124743
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71144663
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide (CID 130288176) is 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide is O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1ncccc1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide?
The InChIKey is CKFXRLYHGMQBOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H11Cl3F2N2O/c20-12-5-3-10(8-15(12)23)17(18-14(22)2-1-7-25-18)26-19(27)11-4-6-13(21)16(24)9-11/h1-9,17H,(H,26,27)/t17-/m0/s1.
What are the key properties of 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide?
4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide has a molecular weight of 427.67 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 130288176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).