1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea

C14H20FN3O — CID 106125333

IUPAC1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
SMILESNC1CCC(CNC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O/c15-11-3-7-13(8-4-11)18-14(19)17-9-10-1-5-12(16)6-2-10/h3-4,7-8,10,12H,1-2,5-6,9,16H2,(H2,17,18,19)
InChIKeyQLOAXWDPRCCWRX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.46
Rot. Bonds3

About 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea

1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea (PubChem CID 106125333) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
PubChem CID106125333
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
SMILESNC1CCC(CNC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O/c15-11-3-7-13(8-4-11)18-14(19)17-9-10-1-5-12(16)6-2-10/h3-4,7-8,10,12H,1-2,5-6,9,16H2,(H2,17,18,19)
InChIKeyQLOAXWDPRCCWRX-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen
CID 163372176
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea (CID 106125333) is 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea is NC1CCC(CNC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea?
The InChIKey is QLOAXWDPRCCWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-11-3-7-13(8-4-11)18-14(19)17-9-10-1-5-12(16)6-2-10/h3-4,7-8,10,12H,1-2,5-6,9,16H2,(H2,17,18,19).
What are the key properties of 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea?
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea has a molecular weight of 265.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 106125333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).