N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide

C24H24FN3O2 — CID 42707241

IUPACN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
SMILESCc1ccccc1NC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2/c1-18-7-5-6-10-22(18)27-24(30)28(21-13-11-20(25)12-14-21)16-15-26-23(29)17-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyRVDAWOQNENTGLN-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.53
Rot. Bonds7

About N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide (PubChem CID 42707241) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
PubChem CID42707241
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
SMILESCc1ccccc1NC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2/c1-18-7-5-6-10-22(18)27-24(30)28(21-13-11-20(25)12-14-21)16-15-26-23(29)17-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyRVDAWOQNENTGLN-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
CID 42705644
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
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide (CID 42707241) is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide is Cc1ccccc1NC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
The InChIKey is RVDAWOQNENTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-18-7-5-6-10-22(18)27-24(30)28(21-13-11-20(25)12-14-21)16-15-26-23(29)17-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide?
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide has a molecular weight of 405.47 g/mol, XLogP of 4.53, 7 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-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 42707241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).