(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide

C11H14Cl2N2O2 — CID 107680682

IUPAC(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-9(14)11(17)15-6-4-7(12)10(16)8(13)5-6/h4-5,9,16H,2-3,14H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyKUPGWERCCSHBRX-VIFPVBQESA-N
MW277.15 g/mol
LogP2.76
Rot. Bonds4

About (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide

(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide (PubChem CID 107680682) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
PubChem CID107680682
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-9(14)11(17)15-6-4-7(12)10(16)8(13)5-6/h4-5,9,16H,2-3,14H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyKUPGWERCCSHBRX-VIFPVBQESA-N
XLogP2.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 107679540
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide (CID 107680682) is (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide?
The InChIKey is KUPGWERCCSHBRX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-3-9(14)11(17)15-6-4-7(12)10(16)8(13)5-6/h4-5,9,16H,2-3,14H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide?
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide has a molecular weight of 277.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 107680682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).