(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide

C18H21BrN2O2 — CID 26584980

IUPAC(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
SMILESCCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H21BrN2O2/c1-2-5-16(19)18(23)20-11-10-17(22)21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPQINAQIINLLSEF-INIZCTEOSA-N
MW377.28 g/mol
LogP3.85
Rot. Bonds7

About (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide

(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide (PubChem CID 26584980) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
PubChem CID26584980
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
SMILESCCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H21BrN2O2/c1-2-5-16(19)18(23)20-11-10-17(22)21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPQINAQIINLLSEF-INIZCTEOSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-anilino-3-oxopropyl)-2-bromopentanamide
CID 40803155
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
CID 26584930
(2R)-2-bromo-N-[3-(3-ethoxyanilino)-3-oxopropyl]pentanamide
CID 40803315
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide
CID 26584951
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
(2R)-2-bromo-N-[3-(3-fluoroanilino)-3-oxopropyl]butanamide
CID 40803233
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
(2R)-2-bromo-N-[3-(4-methylanilino)-3-oxopropyl]butanamide
CID 40803225
3-(naphthalen-2-ylamino)-N-propylpropanamide
CID 62020504
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide?
The IUPAC name of (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide (CID 26584980) is (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide is CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide?
The InChIKey is PQINAQIINLLSEF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-2-5-16(19)18(23)20-11-10-17(22)21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16H,2,5,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide?
(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide has a molecular weight of 377.28 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 26584980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).