N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide

C23H22FN3O2 — CID 42705451

IUPACN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN3O2/c1-17-7-9-18(10-8-17)22(28)25-15-16-27(21-13-11-19(24)12-14-21)23(29)26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyFACHJVIMJWHOAT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.60
Rot. Bonds6

About N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide

N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide (PubChem CID 42705451) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
PubChem CID42705451
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN3O2/c1-17-7-9-18(10-8-17)22(28)25-15-16-27(21-13-11-19(24)12-14-21)23(29)26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyFACHJVIMJWHOAT-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide (CID 42705451) is N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide?
The InChIKey is FACHJVIMJWHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-17-7-9-18(10-8-17)22(28)25-15-16-27(21-13-11-19(24)12-14-21)23(29)26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide?
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 42705451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).