(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide

C16H22Cl2N2O3 — CID 52536429

IUPAC(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
SMILESCC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O3/c1-9(2)15(23-8-11-4-3-5-22-11)16(21)20-10-6-12(17)14(19)13(18)7-10/h6-7,9,11,15H,3-5,8,19H2,1-2H3,(H,20,21)/t11-,15-/m1/s1
InChIKeyGRECIFYPVYKRFI-IAQYHMDHSA-N
MW361.27 g/mol
LogP3.73
Rot. Bonds6

About (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide

(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide (PubChem CID 52536429) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide.

Molecular Properties

Compound Name(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
PubChem CID52536429
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
SMILESCC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O3/c1-9(2)15(23-8-11-4-3-5-22-11)16(21)20-10-6-12(17)14(19)13(18)7-10/h6-7,9,11,15H,3-5,8,19H2,1-2H3,(H,20,21)/t11-,15-/m1/s1
InChIKeyGRECIFYPVYKRFI-IAQYHMDHSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 51193239
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082562
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95282583
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 95142078
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide?
The IUPAC name of (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide (CID 52536429) is (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide.
What is the SMILES notation for (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide?
The canonical SMILES for (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide is CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide?
The InChIKey is GRECIFYPVYKRFI-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-9(2)15(23-8-11-4-3-5-22-11)16(21)20-10-6-12(17)14(19)13(18)7-10/h6-7,9,11,15H,3-5,8,19H2,1-2H3,(H,20,21)/t11-,15-/m1/s1.
What are the key properties of (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide?
(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide has a molecular weight of 361.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide is sourced from PubChem (CID 52536429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).