2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide

C26H24ClF3N2O3 — CID 20524440

IUPAC2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide
SMILESCCCCC(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3N2O3/c1-2-3-8-23(17-9-11-18(12-10-17)26(28,29)30)35-20-15-13-19(14-16-20)31-25(34)32-24(33)21-6-4-5-7-22(21)27/h4-7,9-16,23H,2-3,8H2,1H3,(H2,31,32,33,34)
InChIKeyGHQOCHONQACGHG-UHFFFAOYSA-N
MW504.94 g/mol
LogP7.63
Rot. Bonds8

About 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide

2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide (PubChem CID 20524440) has the molecular formula C26H24ClF3N2O3 and a molecular weight of 504.94 g/mol. Its IUPAC name is 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide
PubChem CID20524440
Molecular FormulaC26H24ClF3N2O3
Molecular Weight504.94 g/mol
Exact Mass504.14
IUPAC Name2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide
SMILESCCCCC(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3N2O3/c1-2-3-8-23(17-9-11-18(12-10-17)26(28,29)30)35-20-15-13-19(14-16-20)31-25(34)32-24(33)21-6-4-5-7-22(21)27/h4-7,9-16,23H,2-3,8H2,1H3,(H2,31,32,33,34)
InChIKeyGHQOCHONQACGHG-UHFFFAOYSA-N
XLogP7.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(1-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524502
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzoyl]amino]propanoate
CID 67153457
2-chloro-N-[[4-(2-methyl-1-phenylpropan-2-yl)oxyphenyl]carbamoyl]benzamide
CID 20524420
2-chloro-N-[[6-[1-(4-ethoxyphenyl)-2,2,2-trifluoroethoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide
CID 14626934
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
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
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide (CID 20524440) is 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide is CCCCC(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide?
The InChIKey is GHQOCHONQACGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N2O3/c1-2-3-8-23(17-9-11-18(12-10-17)26(28,29)30)35-20-15-13-19(14-16-20)31-25(34)32-24(33)21-6-4-5-7-22(21)27/h4-7,9-16,23H,2-3,8H2,1H3,(H2,31,32,33,34).
What are the key properties of 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide has a molecular weight of 504.94 g/mol, XLogP of 7.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[1-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 20524440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).