N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide

C24H21F4N3O3 — CID 3919303

IUPACN-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)N(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)c1
InChIInChI=1S/C24H21F4N3O3/c1-34-21-7-3-6-19(15-21)30-23(33)31(20-10-8-18(25)9-11-20)13-12-29-22(32)16-4-2-5-17(14-16)24(26,27)28/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyULYNLKRSNXCWJK-UHFFFAOYSA-N
MW475.44 g/mol
LogP5.32
Rot. Bonds7

About N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 3919303) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID3919303
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC NameN-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)N(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)c1
InChIInChI=1S/C24H21F4N3O3/c1-34-21-7-3-6-19(15-21)30-23(33)31(20-10-8-18(25)9-11-20)13-12-29-22(32)16-4-2-5-17(14-16)24(26,27)28/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyULYNLKRSNXCWJK-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208
N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 42724470
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 42700455
1-[2-(benzylcarbamoylamino)ethyl]-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42706874
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide (CID 3919303) is N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide is COc1cccc(NC(=O)N(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ULYNLKRSNXCWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-34-21-7-3-6-19(15-21)30-23(33)31(20-10-8-18(25)9-11-20)13-12-29-22(32)16-4-2-5-17(14-16)24(26,27)28/h2-11,14-15H,12-13H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 475.44 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3919303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).