N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide

C19H21F2N3O2 — CID 86932094

IUPACN-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCN(C)Cc1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)12-13-4-3-5-15(10-13)23-18(25)8-9-22-19(26)16-7-6-14(20)11-17(16)21/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySOCYQLJRFIVLRS-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.79
Rot. Bonds7

About N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 86932094) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID86932094
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCN(C)Cc1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)12-13-4-3-5-15(10-13)23-18(25)8-9-22-19(26)16-7-6-14(20)11-17(16)21/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySOCYQLJRFIVLRS-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide (CID 86932094) is N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide is CN(C)Cc1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is SOCYQLJRFIVLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-24(2)12-13-4-3-5-15(10-13)23-18(25)8-9-22-19(26)16-7-6-14(20)11-17(16)21/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 361.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 86932094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).