N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide

C21H19F2N3O — CID 57202962

IUPACN-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide
SMILESCC(=O)NC(CN(c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O/c1-15(27)25-21(16-2-4-17(22)5-3-16)14-26(20-10-12-24-13-11-20)19-8-6-18(23)7-9-19/h2-13,21H,14H2,1H3,(H,25,27)
InChIKeyMCPFVYIINGXVQC-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.38
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide

N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide (PubChem CID 57202962) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide
PubChem CID57202962
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide
SMILESCC(=O)NC(CN(c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O/c1-15(27)25-21(16-2-4-17(22)5-3-16)14-26(20-10-12-24-13-11-20)19-8-6-18(23)7-9-19/h2-13,21H,14H2,1H3,(H,25,27)
InChIKeyMCPFVYIINGXVQC-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide
CID 57129719
N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
CID 139050394
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
N-[2-[3-fluoro-2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl-pyridin-4-ylamino]phenyl]anilino]-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]acetamide
CID 173294760
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95758302
3-(4-fluorophenyl)-3-(pyridin-4-ylcarbamothioylamino)propanoic acid
CID 133203234
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
CID 95301553

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide (CID 57202962) is N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide is CC(=O)NC(CN(c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide?
The InChIKey is MCPFVYIINGXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-15(27)25-21(16-2-4-17(22)5-3-16)14-26(20-10-12-24-13-11-20)19-8-6-18(23)7-9-19/h2-13,21H,14H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide?
N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide is sourced from PubChem (CID 57202962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).