N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide

C14H13BrClNO2S — CID 68864161

IUPACN-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide
SMILESCC(O)(c1cccs1)c1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C14H13BrClNO2S/c1-14(19,12-3-2-6-20-12)10-7-9(15)4-5-11(10)17-13(18)8-16/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyMPERAMZLICEVKB-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.94
Rot. Bonds4

About N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide

N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide (PubChem CID 68864161) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide
PubChem CID68864161
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide
SMILESCC(O)(c1cccs1)c1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C14H13BrClNO2S/c1-14(19,12-3-2-6-20-12)10-7-9(15)4-5-11(10)17-13(18)8-16/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyMPERAMZLICEVKB-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-bromo-2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]phenyl]-2-chloroacetamide
CID 68866178
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-[hydroxy-bis(4-methoxyphenyl)methyl]phenyl]-2-chloroacetamide
CID 68977017
N-[3-tert-butyl-4-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
CID 18630154
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 23249669
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide (CID 68864161) is N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide is CC(O)(c1cccs1)c1cc(Br)ccc1NC(=O)CCl.
What is the InChIKey of N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide?
The InChIKey is MPERAMZLICEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-14(19,12-3-2-6-20-12)10-7-9(15)4-5-11(10)17-13(18)8-16/h2-7,19H,8H2,1H3,(H,17,18).
What are the key properties of N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide?
N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide has a molecular weight of 374.69 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(1-hydroxy-1-thiophen-2-ylethyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 68864161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).