N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide

C14H18F2N2O — CID 63187160

IUPACN-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)c(NC)c(F)c1)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-3-6-18(10-4-5-10)14(19)9-7-11(15)13(17-2)12(16)8-9/h7-8,10,17H,3-6H2,1-2H3
InChIKeyBPUSLQOZIVSUBX-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide

N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide (PubChem CID 63187160) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
PubChem CID63187160
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)c(NC)c(F)c1)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-3-6-18(10-4-5-10)14(19)9-7-11(15)13(17-2)12(16)8-9/h7-8,10,17H,3-6H2,1-2H3
InChIKeyBPUSLQOZIVSUBX-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
N-(4-aminocyclohexyl)-2-fluoro-4-hydroxy-N-propylbenzamide
CID 107677171
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide?
The IUPAC name of N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide (CID 63187160) is N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide.
What is the SMILES notation for N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide?
The canonical SMILES for N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide is CCCN(C(=O)c1cc(F)c(NC)c(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide?
The InChIKey is BPUSLQOZIVSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-3-6-18(10-4-5-10)14(19)9-7-11(15)13(17-2)12(16)8-9/h7-8,10,17H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide?
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide is sourced from PubChem (CID 63187160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).