benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate

C25H29FN2O3 — CID 146204024

IUPACbenzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate
SMILESCC1CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)CC1NC(=O)OCc1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-17-14-24(2,15-21(17)27-23(30)31-16-18-6-4-3-5-7-18)25(12-13-25)28-22(29)19-8-10-20(26)11-9-19/h3-11,17,21H,12-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLOOJVYQUBDKGID-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.82
Rot. Bonds6

About benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate

benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate (PubChem CID 146204024) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate
PubChem CID146204024
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Namebenzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate
SMILESCC1CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)CC1NC(=O)OCc1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-17-14-24(2,15-21(17)27-23(30)31-16-18-6-4-3-5-7-18)25(12-13-25)28-22(29)19-8-10-20(26)11-9-19/h3-11,17,21H,12-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLOOJVYQUBDKGID-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
[5,5-dimethoxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 69014681
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
cis-ethyl (1S,2R)-5,5-difluoro-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 58259539

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate?
The IUPAC name of benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate (CID 146204024) is benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate?
The canonical SMILES for benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate is CC1CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)CC1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate?
The InChIKey is LOOJVYQUBDKGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-17-14-24(2,15-21(17)27-23(30)31-16-18-6-4-3-5-7-18)25(12-13-25)28-22(29)19-8-10-20(26)11-9-19/h3-11,17,21H,12-16H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate?
benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate has a molecular weight of 424.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-2,4-dimethylcyclopentyl]carbamate is sourced from PubChem (CID 146204024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).