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

C23H18Cl3F3N2O2 — CID 130288501

IUPACN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C(F)(F)F
InChIInChI=1S/C23H18Cl3F3N2O2/c1-12(2)33-20-8-4-14(9-16(20)23(27,28)29)22(32)31-21(19-7-5-15(24)11-30-19)13-3-6-17(25)18(26)10-13/h3-12,21H,1-2H3,(H,31,32)/t21-/m0/s1
InChIKeyIHPBCOJSFZHZKL-NRFANRHFSA-N
MW517.76 g/mol
LogP7.37
Rot. Bonds6

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

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide (PubChem CID 130288501) has the molecular formula C23H18Cl3F3N2O2 and a molecular weight of 517.76 g/mol. Its IUPAC name is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
PubChem CID130288501
Molecular FormulaC23H18Cl3F3N2O2
Molecular Weight517.76 g/mol
Exact Mass516.04
IUPAC NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C(F)(F)F
InChIInChI=1S/C23H18Cl3F3N2O2/c1-12(2)33-20-8-4-14(9-16(20)23(27,28)29)22(32)31-21(19-7-5-15(24)11-30-19)13-3-6-17(25)18(26)10-13/h3-12,21H,1-2H3,(H,31,32)/t21-/m0/s1
InChIKeyIHPBCOJSFZHZKL-NRFANRHFSA-N
XLogP7.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.76
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide (CID 130288501) is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide is CC(C)Oc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The InChIKey is IHPBCOJSFZHZKL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18Cl3F3N2O2/c1-12(2)33-20-8-4-14(9-16(20)23(27,28)29)22(32)31-21(19-7-5-15(24)11-30-19)13-3-6-17(25)18(26)10-13/h3-12,21H,1-2H3,(H,31,32)/t21-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide has a molecular weight of 517.76 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-propan-2-yloxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 130288501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).