1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea

C18H24F2N2O — CID 86875302

IUPAC1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
SMILESCN(CC1CC1)C(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C18H24F2N2O/c1-22(11-13-7-8-13)17(23)21-12-18(9-2-3-10-18)16-14(19)5-4-6-15(16)20/h4-6,13H,2-3,7-12H2,1H3,(H,21,23)
InChIKeyYTKCJTSHCLVXBK-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.83
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea

1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea (PubChem CID 86875302) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
PubChem CID86875302
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
SMILESCN(CC1CC1)C(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C18H24F2N2O/c1-22(11-13-7-8-13)17(23)21-12-18(9-2-3-10-18)16-14(19)5-4-6-15(16)20/h4-6,13H,2-3,7-12H2,1H3,(H,21,23)
InChIKeyYTKCJTSHCLVXBK-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799
3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122562278
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102560985
3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 126451957
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea (CID 86875302) is 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea is CN(CC1CC1)C(=O)NCC1(c2c(F)cccc2F)CCCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea?
The InChIKey is YTKCJTSHCLVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c1-22(11-13-7-8-13)17(23)21-12-18(9-2-3-10-18)16-14(19)5-4-6-15(16)20/h4-6,13H,2-3,7-12H2,1H3,(H,21,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea?
1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea has a molecular weight of 322.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea is sourced from PubChem (CID 86875302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).