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

C21H19ClFN3O — CID 57129719

IUPACN-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(CN(c1ccncc1)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFN3O/c1-15(27)25-20(16-6-8-17(23)9-7-16)14-26(18-10-12-24-13-11-18)21-5-3-2-4-19(21)22/h2-13,20H,14H2,1H3,(H,25,27)
InChIKeyIRBKPDPORGOWCM-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.89
Rot. Bonds6

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

N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 57129719) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID57129719
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC NameN-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(CN(c1ccncc1)c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFN3O/c1-15(27)25-20(16-6-8-17(23)9-7-16)14-26(18-10-12-24-13-11-18)21-5-3-2-4-19(21)22/h2-13,20H,14H2,1H3,(H,25,27)
InChIKeyIRBKPDPORGOWCM-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide
CID 57202962
N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
CID 139050394
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
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
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
CID 141414605
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
CID 51195838
N-[(S)-(1-benzyltriazol-4-yl)-(4-fluorophenyl)methyl]acetamide
CID 102516209

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide (CID 57129719) is N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide is CC(=O)NC(CN(c1ccncc1)c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is IRBKPDPORGOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-15(27)25-20(16-6-8-17(23)9-7-16)14-26(18-10-12-24-13-11-18)21-5-3-2-4-19(21)22/h2-13,20H,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide?
N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 383.85 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-N-pyridin-4-ylanilino)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 57129719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).