3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide

C22H17Cl2F2N3O2 — CID 3519796

IUPAC3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2F2N3O2/c23-17-10-5-14(13-18(17)24)21(30)27-11-12-29(16-8-6-15(25)7-9-16)22(31)28-20-4-2-1-3-19(20)26/h1-10,13H,11-12H2,(H,27,30)(H,28,31)
InChIKeyPFHGGPYCGAIFBG-UHFFFAOYSA-N
MW464.30 g/mol
LogP5.74
Rot. Bonds6

About 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide

3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide (PubChem CID 3519796) has the molecular formula C22H17Cl2F2N3O2 and a molecular weight of 464.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
PubChem CID3519796
Molecular FormulaC22H17Cl2F2N3O2
Molecular Weight464.30 g/mol
Exact Mass463.07
IUPAC Name3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2F2N3O2/c23-17-10-5-14(13-18(17)24)21(30)27-11-12-29(16-8-6-15(25)7-9-16)22(31)28-20-4-2-1-3-19(20)26/h1-10,13H,11-12H2,(H,27,30)(H,28,31)
InChIKeyPFHGGPYCGAIFBG-UHFFFAOYSA-N
XLogP5.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.30
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide
CID 42708642
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42727551
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705740
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide (CID 3519796) is 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide is O=C(NCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide?
The InChIKey is PFHGGPYCGAIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F2N3O2/c23-17-10-5-14(13-18(17)24)21(30)27-11-12-29(16-8-6-15(25)7-9-16)22(31)28-20-4-2-1-3-19(20)26/h1-10,13H,11-12H2,(H,27,30)(H,28,31).
What are the key properties of 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide?
3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide has a molecular weight of 464.30 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide is sourced from PubChem (CID 3519796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).