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

C23H21F2N3O3 — CID 42707208

IUPAC3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
SMILESCOc1ccc(NC(=O)N(CCNC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-21-11-7-19(8-12-21)27-23(30)28(20-9-5-17(24)6-10-20)14-13-26-22(29)16-3-2-4-18(25)15-16/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyDSYBBJZFKJOLPB-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.44
Rot. Bonds7

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

3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide (PubChem CID 42707208) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
PubChem CID42707208
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
SMILESCOc1ccc(NC(=O)N(CCNC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-21-11-7-19(8-12-21)27-23(30)28(20-9-5-17(24)6-10-20)14-13-26-22(29)16-3-2-4-18(25)15-16/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyDSYBBJZFKJOLPB-UHFFFAOYSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 3919303
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707212
1-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-3-(4-nitrophenyl)urea
CID 4233640
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide (CID 42707208) is 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide is COc1ccc(NC(=O)N(CCNC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide?
The InChIKey is DSYBBJZFKJOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-31-21-11-7-19(8-12-21)27-23(30)28(20-9-5-17(24)6-10-20)14-13-26-22(29)16-3-2-4-18(25)15-16/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide?
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide has a molecular weight of 425.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide is sourced from PubChem (CID 42707208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).