N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide

C22H26F2N2O2 — CID 144760281

IUPACN-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide
SMILESCCC(N)=O.CN(C(=O)c1ccc(-c2ccc(F)cc2F)cc1)C1CCCC1
InChIInChI=1S/C19H19F2NO.C3H7NO/c1-22(16-4-2-3-5-16)19(23)14-8-6-13(7-9-14)17-11-10-15(20)12-18(17)21;1-2-3(4)5/h6-12,16H,2-5H2,1H3;2H2,1H3,(H2,4,5)
InChIKeySOXBABKXYZECNA-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.53
Rot. Bonds4

About N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide

N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide (PubChem CID 144760281) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide
PubChem CID144760281
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide
SMILESCCC(N)=O.CN(C(=O)c1ccc(-c2ccc(F)cc2F)cc1)C1CCCC1
InChIInChI=1S/C19H19F2NO.C3H7NO/c1-22(16-4-2-3-5-16)19(23)14-8-6-13(7-9-14)17-11-10-15(20)12-18(17)21;1-2-3(4)5/h6-12,16H,2-5H2,1H3;2H2,1H3,(H2,4,5)
InChIKeySOXBABKXYZECNA-UHFFFAOYSA-N
XLogP4.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2,4-dimethylphenyl)-N-methylbenzamide
CID 129191408
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
CID 47128703
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
4-(3-amino-4-hydrazinylphenyl)-N-cyclopentyl-N-methylbenzamide
CID 144760327

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide?
The IUPAC name of N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide (CID 144760281) is N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide.
What is the SMILES notation for N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide?
The canonical SMILES for N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide is CCC(N)=O.CN(C(=O)c1ccc(-c2ccc(F)cc2F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide?
The InChIKey is SOXBABKXYZECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO.C3H7NO/c1-22(16-4-2-3-5-16)19(23)14-8-6-13(7-9-14)17-11-10-15(20)12-18(17)21;1-2-3(4)5/h6-12,16H,2-5H2,1H3;2H2,1H3,(H2,4,5).
What are the key properties of N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide?
N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide has a molecular weight of 388.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide is sourced from PubChem (CID 144760281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).