N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

C22H26FN3O2 — CID 60555754

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H26FN3O2/c1-16-5-4-6-19(13-16)26-21(28)24-14-20(27)25-15-22(11-2-3-12-22)17-7-9-18(23)10-8-17/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyRIXNVSAPFOGKAX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.88
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 60555754) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID60555754
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H26FN3O2/c1-16-5-4-6-19(13-16)26-21(28)24-14-20(27)25-15-22(11-2-3-12-22)17-7-9-18(23)10-8-17/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyRIXNVSAPFOGKAX-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
tert-butyl N-[1-[[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]methyl]cycloheptyl]carbamate
CID 32611176
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 100636715

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 60555754) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is RIXNVSAPFOGKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-5-4-6-19(13-16)26-21(28)24-14-20(27)25-15-22(11-2-3-12-22)17-7-9-18(23)10-8-17/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 60555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).