3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide

C14H20F2N2O2 — CID 82946466

IUPAC3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-6-20-7-4-5-18-14(19)10-8-11(15)13(17-2)12(16)9-10/h8-9,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyREVZNKGEFCPAFP-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.55
Rot. Bonds8

About 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide

3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide (PubChem CID 82946466) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
PubChem CID82946466
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-6-20-7-4-5-18-14(19)10-8-11(15)13(17-2)12(16)9-10/h8-9,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyREVZNKGEFCPAFP-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide (CID 82946466) is 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide?
The InChIKey is REVZNKGEFCPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-6-20-7-4-5-18-14(19)10-8-11(15)13(17-2)12(16)9-10/h8-9,17H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 82946466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).