2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide

C19H19F3N2O3 — CID 29469634

IUPAC2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C19H19F3N2O3/c1-24(11-12-3-6-17(27-2)16(22)9-12)18(25)7-8-23-19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)
InChIKeySFMHFELZNUTTPL-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.89
Rot. Bonds7

About 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 29469634) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
PubChem CID29469634
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C19H19F3N2O3/c1-24(11-12-3-6-17(27-2)16(22)9-12)18(25)7-8-23-19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)
InChIKeySFMHFELZNUTTPL-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 62835854
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31327338
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24655942
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51220458
N-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46536513

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide (CID 29469634) is 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide is COc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is SFMHFELZNUTTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-24(11-12-3-6-17(27-2)16(22)9-12)18(25)7-8-23-19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26).
What are the key properties of 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 29469634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).