(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide

C14H19BrN2O — CID 8005833

IUPAC(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10(14(18)17-12-4-2-3-5-12)16-13-8-6-11(15)7-9-13/h6-10,12,16H,2-5H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyJEULHKBKJBDPLR-SNVBAGLBSA-N
MW311.22 g/mol
LogP3.31
Rot. Bonds4

About (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide

(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide (PubChem CID 8005833) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
PubChem CID8005833
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10(14(18)17-12-4-2-3-5-12)16-13-8-6-11(15)7-9-13/h6-10,12,16H,2-5H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyJEULHKBKJBDPLR-SNVBAGLBSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromoanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 9273781
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
(2S)-2-[4-(1-adamantyl)anilino]-N-cyclohexylpropanamide
CID 7928871
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide (CID 8005833) is (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide is C[C@@H](Nc1ccc(Br)cc1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide?
The InChIKey is JEULHKBKJBDPLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(14(18)17-12-4-2-3-5-12)16-13-8-6-11(15)7-9-13/h6-10,12,16H,2-5H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide?
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 8005833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).