3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide

C19H17F2N3O2 — CID 134051734

IUPAC3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)C(NC(=O)CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c1-23-19(26)18(14-7-8-15(20)16(21)10-14)24-17(25)9-6-12-2-4-13(11-22)5-3-12/h2-5,7-8,10,18H,6,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyRVAARXIDSXXMBX-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.37
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide

3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 134051734) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide
PubChem CID134051734
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)C(NC(=O)CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c1-23-19(26)18(14-7-8-15(20)16(21)10-14)24-17(25)9-6-12-2-4-13(11-22)5-3-12/h2-5,7-8,10,18H,6,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyRVAARXIDSXXMBX-UHFFFAOYSA-N
XLogP2.37
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
CID 134051655
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134051720
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55652114
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
4-chloro-N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-4-oxobutyl]benzamide
CID 55501712
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
4-tert-butyl-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55483213
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide (CID 134051734) is 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)C(NC(=O)CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is RVAARXIDSXXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-23-19(26)18(14-7-8-15(20)16(21)10-14)24-17(25)9-6-12-2-4-13(11-22)5-3-12/h2-5,7-8,10,18H,6,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide?
3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 357.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 134051734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).