1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea

C14H19F2N3O — CID 61298666

IUPAC1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
SMILESNC1(CNC(=O)Nc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H19F2N3O/c15-10-4-5-12(11(16)8-10)19-13(20)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H2,18,19,20)
InChIKeyUKSMMMUGZNLWLD-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.75
Rot. Bonds3

About 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea

1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea (PubChem CID 61298666) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
PubChem CID61298666
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
SMILESNC1(CNC(=O)Nc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H19F2N3O/c15-10-4-5-12(11(16)8-10)19-13(20)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H2,18,19,20)
InChIKeyUKSMMMUGZNLWLD-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(2,4-difluorophenyl)-3-(1-ethynylcyclohexyl)urea
CID 3719887
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107268642
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea (CID 61298666) is 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea is NC1(CNC(=O)Nc2ccc(F)cc2F)CCCCC1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is UKSMMMUGZNLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-10-4-5-12(11(16)8-10)19-13(20)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H2,18,19,20).
What are the key properties of 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea?
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 283.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 61298666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).