2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide

C24H21ClF3N3O4 — CID 14626934

IUPAC2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide
SMILESCCOc1ccc(C(Oc2ncc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)C(F)(F)F)cc1
InChIInChI=1S/C24H21ClF3N3O4/c1-3-34-17-10-8-15(9-11-17)20(24(26,27)28)35-22-14(2)12-16(13-29-22)30-23(33)31-21(32)18-6-4-5-7-19(18)25/h4-13,20H,3H2,1-2H3,(H2,30,31,32,33)
InChIKeyJQWVCFBKHZEVCL-UHFFFAOYSA-N
MW507.90 g/mol
LogP6.09
Rot. Bonds7

About 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide

2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide (PubChem CID 14626934) has the molecular formula C24H21ClF3N3O4 and a molecular weight of 507.90 g/mol. Its IUPAC name is 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide
PubChem CID14626934
Molecular FormulaC24H21ClF3N3O4
Molecular Weight507.90 g/mol
Exact Mass507.12
IUPAC Name2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide
SMILESCCOc1ccc(C(Oc2ncc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)C(F)(F)F)cc1
InChIInChI=1S/C24H21ClF3N3O4/c1-3-34-17-10-8-15(9-11-17)20(24(26,27)28)35-22-14(2)12-16(13-29-22)30-23(33)31-21(32)18-6-4-5-7-19(18)25/h4-13,20H,3H2,1-2H3,(H2,30,31,32,33)
InChIKeyJQWVCFBKHZEVCL-UHFFFAOYSA-N
XLogP6.09
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.90
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide with MolForge

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Related Compounds

N-[[6-[1-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 14626951
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide
CID 20524440
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
CID 134087446
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
CID 70575711
2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate
CID 157061486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide (CID 14626934) is 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide is CCOc1ccc(C(Oc2ncc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is JQWVCFBKHZEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O4/c1-3-34-17-10-8-15(9-11-17)20(24(26,27)28)35-22-14(2)12-16(13-29-22)30-23(33)31-21(32)18-6-4-5-7-19(18)25/h4-13,20H,3H2,1-2H3,(H2,30,31,32,33).
What are the key properties of 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide?
2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 507.90 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 14626934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).