3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide

C14H20F2N2O — CID 63187095

IUPAC3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-5-6-17-13-11(15)7-10(8-12(13)16)14(19)18(4)9(2)3/h7-9,17H,5-6H2,1-4H3
InChIKeyZKMDNKRLRIPTTA-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.27
Rot. Bonds5

About 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide

3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide (PubChem CID 63187095) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
PubChem CID63187095
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-5-6-17-13-11(15)7-10(8-12(13)16)14(19)18(4)9(2)3/h7-9,17H,5-6H2,1-4H3
InChIKeyZKMDNKRLRIPTTA-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
CID 63186596
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide (CID 63187095) is 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide?
The InChIKey is ZKMDNKRLRIPTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-5-6-17-13-11(15)7-10(8-12(13)16)14(19)18(4)9(2)3/h7-9,17H,5-6H2,1-4H3.
What are the key properties of 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide?
3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide has a molecular weight of 270.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide is sourced from PubChem (CID 63187095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).