(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide

C16H21BrN2O3 — CID 7815645

IUPAC(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeyTVLJLAGUCMIIAO-NSHDSACASA-N
MW369.26 g/mol
LogP3.37
Rot. Bonds4

About (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide

(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7815645) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7815645
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeyTVLJLAGUCMIIAO-NSHDSACASA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7815645) is (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is TVLJLAGUCMIIAO-NSHDSACASA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 369.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7815645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).