3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C18H26FN3O2 — CID 18152351

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c19-16-9-5-4-6-14(16)10-12-20-17(23)11-13-21-18(24)22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyAYJVVDCCMPNCMU-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.51
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 18152351) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID18152351
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c19-16-9-5-4-6-14(16)10-12-20-17(23)11-13-21-18(24)22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyAYJVVDCCMPNCMU-UHFFFAOYSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 18152351) is 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide is O=C(CCNC(=O)NC1CCCCC1)NCCc1ccccc1F.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is AYJVVDCCMPNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-16-9-5-4-6-14(16)10-12-20-17(23)11-13-21-18(24)22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 335.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 18152351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).