(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide

C16H23BrN2O — CID 7043625

IUPAC(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
SMILESCc1cc(N[C@@H](C)C(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11-10-14(8-9-15(11)17)18-12(2)16(20)19-13-6-4-3-5-7-13/h8-10,12-13,18H,3-7H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPLTHSBPBDDBEQA-LBPRGKRZSA-N
MW339.28 g/mol
LogP4.01
Rot. Bonds4

About (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide

(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide (PubChem CID 7043625) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
PubChem CID7043625
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
SMILESCc1cc(N[C@@H](C)C(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-11-10-14(8-9-15(11)17)18-12(2)16(20)19-13-6-4-3-5-7-13/h8-10,12-13,18H,3-7H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPLTHSBPBDDBEQA-LBPRGKRZSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide (CID 7043625) is (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide is Cc1cc(N[C@@H](C)C(=O)NC2CCCCC2)ccc1Br.
What is the InChIKey of (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide?
The InChIKey is PLTHSBPBDDBEQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-10-14(8-9-15(11)17)18-12(2)16(20)19-13-6-4-3-5-7-13/h8-10,12-13,18H,3-7H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide?
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 7043625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).