N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

C27H25F5N4O4 — CID 90460202

IUPACN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37)
InChIKeyFJXNQTNRVQCBSY-UHFFFAOYSA-N
MW564.51 g/mol
LogP5.50
Rot. Bonds8

About N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 90460202) has the molecular formula C27H25F5N4O4 and a molecular weight of 564.51 g/mol. Its IUPAC name is N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID90460202
Molecular FormulaC27H25F5N4O4
Molecular Weight564.51 g/mol
Exact Mass564.18
IUPAC NameN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37)
InChIKeyFJXNQTNRVQCBSY-UHFFFAOYSA-N
XLogP5.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (CID 90460202) is N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is CC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is FJXNQTNRVQCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37).
What are the key properties of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 564.51 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90460202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).