N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide

C18H26FN3O2 — CID 173222069

IUPACN-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
SMILESNC(=O)N(CCNc1cccc(F)c1)C(=O)CCC1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-7-4-8-16(13-15)21-11-12-22(18(20)24)17(23)10-9-14-5-2-1-3-6-14/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24)
InChIKeyWCIKPIHBCISCIX-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.51
Rot. Bonds7

About N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide

N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide (PubChem CID 173222069) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
PubChem CID173222069
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
SMILESNC(=O)N(CCNc1cccc(F)c1)C(=O)CCC1CCCCC1
InChIInChI=1S/C18H26FN3O2/c19-15-7-4-8-16(13-15)21-11-12-22(18(20)24)17(23)10-9-14-5-2-1-3-6-14/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24)
InChIKeyWCIKPIHBCISCIX-UHFFFAOYSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide
CID 42706792
3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 166763737
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide
CID 173221947
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide?
The IUPAC name of N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide (CID 173222069) is N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide.
What is the SMILES notation for N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide?
The canonical SMILES for N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide is NC(=O)N(CCNc1cccc(F)c1)C(=O)CCC1CCCCC1.
What is the InChIKey of N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide?
The InChIKey is WCIKPIHBCISCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-7-4-8-16(13-15)21-11-12-22(18(20)24)17(23)10-9-14-5-2-1-3-6-14/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24).
What are the key properties of N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide?
N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide has a molecular weight of 335.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide is sourced from PubChem (CID 173222069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).