4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide

C20H14Cl3FN2O — CID 130288181

IUPAC4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C20H14Cl3FN2O/c1-11-8-13(4-7-16(11)23)20(27)26-18(12-2-5-14(21)6-3-12)19-17(24)9-15(22)10-25-19/h2-10,18H,1H3,(H,26,27)/t18-/m0/s1
InChIKeyGOKJFEMIQDBPSQ-SFHVURJKSA-N
MW423.70 g/mol
LogP6.01
Rot. Bonds4

About 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide

4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide (PubChem CID 130288181) has the molecular formula C20H14Cl3FN2O and a molecular weight of 423.70 g/mol. Its IUPAC name is 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
PubChem CID130288181
Molecular FormulaC20H14Cl3FN2O
Molecular Weight423.70 g/mol
Exact Mass422.02
IUPAC Name4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C20H14Cl3FN2O/c1-11-8-13(4-7-16(11)23)20(27)26-18(12-2-5-14(21)6-3-12)19-17(24)9-15(22)10-25-19/h2-10,18H,1H3,(H,26,27)/t18-/m0/s1
InChIKeyGOKJFEMIQDBPSQ-SFHVURJKSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.70
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide with MolForge

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Related Compounds

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
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
ethyl 2-[[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]amino]pyrimidine-5-carboxylate
CID 121264754
4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
CID 130288176
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
CID 130288596
N-[(R)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-methylbenzamide
CID 121264758
N-[(4-chlorophenyl)-(6-chloro-3-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264422
N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-methoxybenzamide
CID 121264329
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide (CID 130288181) is 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncc(Cl)cc2F)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide?
The InChIKey is GOKJFEMIQDBPSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H14Cl3FN2O/c1-11-8-13(4-7-16(11)23)20(27)26-18(12-2-5-14(21)6-3-12)19-17(24)9-15(22)10-25-19/h2-10,18H,1H3,(H,26,27)/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide?
4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide has a molecular weight of 423.70 g/mol, XLogP of 6.01, 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)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 130288181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).