2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide

C17H23BrN2O2 — CID 142018491

IUPAC2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O2/c1-19-17(22)20-16(21)15(11-12-5-3-2-4-6-12)13-7-9-14(18)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H2,19,20,21,22)
InChIKeyFUHUDGYRZPPIMI-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide

2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide (PubChem CID 142018491) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide
PubChem CID142018491
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O2/c1-19-17(22)20-16(21)15(11-12-5-3-2-4-6-12)13-7-9-14(18)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H2,19,20,21,22)
InChIKeyFUHUDGYRZPPIMI-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-hydroxy-2-phenylpropanamide
CID 167915890
[4-[3-cyclopentyl-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-2-nitrophenyl]methanesulfinic acid
CID 174372420
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 46223569
3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyl-2H-tetrazol-1-ium-1-yl)-3-(trifluoromethyl)phenyl]propanamide
CID 151361842
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
CID 151469580
3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 166328931
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
(4-bromophenyl)methyl-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9039859
methyl 3-cyclopentyl-2-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]propanoate
CID 67483965
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide (CID 142018491) is 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide?
The InChIKey is FUHUDGYRZPPIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-19-17(22)20-16(21)15(11-12-5-3-2-4-6-12)13-7-9-14(18)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide?
2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide has a molecular weight of 367.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 142018491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).