1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea

C13H18FN3O — CID 63767680

IUPAC1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
SMILESNCC1(NC(=O)Nc2cccc(F)c2)CCCC1
InChIInChI=1S/C13H18FN3O/c14-10-4-3-5-11(8-10)16-12(18)17-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2,(H2,16,17,18)
InChIKeyPCJSEIRQFVNHTD-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds3

About 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea

1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea (PubChem CID 63767680) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
PubChem CID63767680
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
SMILESNCC1(NC(=O)Nc2cccc(F)c2)CCCC1
InChIInChI=1S/C13H18FN3O/c14-10-4-3-5-11(8-10)16-12(18)17-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2,(H2,16,17,18)
InChIKeyPCJSEIRQFVNHTD-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
CID 63765978
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
CID 72860999
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea (CID 63767680) is 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea is NCC1(NC(=O)Nc2cccc(F)c2)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea?
The InChIKey is PCJSEIRQFVNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-10-4-3-5-11(8-10)16-12(18)17-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2,(H2,16,17,18).
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea?
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea has a molecular weight of 251.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 63767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).