N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide

C25H16ClF10N3O3 — CID 85471992

IUPACN-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F
InChIInChI=1S/C25H16ClF10N3O3/c1-2-39(21(41)12-6-8-37-9-7-12)16-5-3-4-14(18(16)27)20(40)38-19-15(26)10-13(11-17(19)42-22(28)29)23(30,24(31,32)33)25(34,35)36/h3-11,22H,2H2,1H3,(H,38,40)
InChIKeyQHTHLDFDYCVWGZ-UHFFFAOYSA-N
MW631.85 g/mol
LogP7.68
Rot. Bonds8

About N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide

N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide (PubChem CID 85471992) has the molecular formula C25H16ClF10N3O3 and a molecular weight of 631.85 g/mol. Its IUPAC name is N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide
PubChem CID85471992
Molecular FormulaC25H16ClF10N3O3
Molecular Weight631.85 g/mol
Exact Mass631.07
IUPAC NameN-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F
InChIInChI=1S/C25H16ClF10N3O3/c1-2-39(21(41)12-6-8-37-9-7-12)16-5-3-4-14(18(16)27)20(40)38-19-15(26)10-13(11-17(19)42-22(28)29)23(30,24(31,32)33)25(34,35)36/h3-11,22H,2H2,1H3,(H,38,40)
InChIKeyQHTHLDFDYCVWGZ-UHFFFAOYSA-N
XLogP7.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.85
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide 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-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide (CID 85471992) is N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide is CCN(C(=O)c1ccncc1)c1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F.
What is the InChIKey of N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide?
The InChIKey is QHTHLDFDYCVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF10N3O3/c1-2-39(21(41)12-6-8-37-9-7-12)16-5-3-4-14(18(16)27)20(40)38-19-15(26)10-13(11-17(19)42-22(28)29)23(30,24(31,32)33)25(34,35)36/h3-11,22H,2H2,1H3,(H,38,40).
What are the key properties of N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide?
N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide has a molecular weight of 631.85 g/mol, XLogP of 7.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 85471992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).