(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide

C17H16Cl2N2O3 — CID 170433966

IUPAC(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc(C=O)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-15(24-17-14(19)7-13(18)9-21-17)16(23)20-8-11-4-3-5-12(6-11)10-22/h3-7,9-10,15H,2,8H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyQBCYDBVQUPRTGB-OAHLLOKOSA-N
MW367.23 g/mol
LogP3.67
Rot. Bonds7

About (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide

(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide (PubChem CID 170433966) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
PubChem CID170433966
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc(C=O)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-15(24-17-14(19)7-13(18)9-21-17)16(23)20-8-11-4-3-5-12(6-11)10-22/h3-7,9-10,15H,2,8H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyQBCYDBVQUPRTGB-OAHLLOKOSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(methylamino)phenyl]methyl]butanamide;2-(4-formamidopiperidin-1-yl)acetic acid
CID 170612638
[6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium
CID 170612743
3-[2-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]benzoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,2-dimethylpropanoic acid
CID 170612784
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
N-[[3-[6-[(2E)-2-amino-2-hydroxyiminoethyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]phenyl]methyl]-2-[(3,5-dichloro-2-pyridinyl)oxy]butanamide
CID 170612628
(2S)-2-chloro-N-[(3-formylphenyl)methyl]propanamide
CID 125457023
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide (CID 170433966) is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide is CC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc(C=O)c1.
What is the InChIKey of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide?
The InChIKey is QBCYDBVQUPRTGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-2-15(24-17-14(19)7-13(18)9-21-17)16(23)20-8-11-4-3-5-12(6-11)10-22/h3-7,9-10,15H,2,8H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide?
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide has a molecular weight of 367.23 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide is sourced from PubChem (CID 170433966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).