N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide

C19H15ClF6N2O2 — CID 46224787

IUPACN-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF6N2O2/c20-15-3-1-11(2-4-15)10-28-16(29)5-6-27-17(30)12-7-13(18(21,22)23)9-14(8-12)19(24,25)26/h1-4,7-9H,5-6,10H2,(H,27,30)(H,28,29)
InChIKeyCIAFLXLTWDWHDO-UHFFFAOYSA-N
MW452.78 g/mol
LogP4.81
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide

N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46224787) has the molecular formula C19H15ClF6N2O2 and a molecular weight of 452.78 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID46224787
Molecular FormulaC19H15ClF6N2O2
Molecular Weight452.78 g/mol
Exact Mass452.07
IUPAC NameN-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF6N2O2/c20-15-3-1-11(2-4-15)10-28-16(29)5-6-27-17(30)12-7-13(18(21,22)23)9-14(8-12)19(24,25)26/h1-4,7-9H,5-6,10H2,(H,27,30)(H,28,29)
InChIKeyCIAFLXLTWDWHDO-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.78
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide (CID 46224787) is N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide is O=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is CIAFLXLTWDWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF6N2O2/c20-15-3-1-11(2-4-15)10-28-16(29)5-6-27-17(30)12-7-13(18(21,22)23)9-14(8-12)19(24,25)26/h1-4,7-9H,5-6,10H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 452.78 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46224787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).