N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide

C11H13BrClNO2 — CID 66931419

IUPACN-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
SMILESC[C@@](CO)(NC(=O)CCl)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-11(7-15,14-10(16)6-13)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYMUDVPSEDCDDMR-NSHDSACASA-N
MW306.59 g/mol
LogP2.01
Rot. Bonds4

About N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide

N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 66931419) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
PubChem CID66931419
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
SMILESC[C@@](CO)(NC(=O)CCl)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-11(7-15,14-10(16)6-13)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYMUDVPSEDCDDMR-NSHDSACASA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.01
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

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CID 61048823
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-(3-bromophenyl)propan-2-ylcarbamic acid
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CID 105057894
2-(3-chlorophenyl)-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105059159
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide (CID 66931419) is N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide is C[C@@](CO)(NC(=O)CCl)c1cccc(Br)c1.
What is the InChIKey of N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is YMUDVPSEDCDDMR-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-11(7-15,14-10(16)6-13)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide?
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 306.59 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 66931419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).