N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide

C16H15BrClNO3 — CID 170437238

IUPACN-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide
SMILESO=C(CO)NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO3/c17-13-5-1-11(2-6-13)16(22,10-19-15(21)9-20)12-3-7-14(18)8-4-12/h1-8,20,22H,9-10H2,(H,19,21)
InChIKeyLCQWOZJPKNQHNH-UHFFFAOYSA-N
MW384.66 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide

N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide (PubChem CID 170437238) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide
PubChem CID170437238
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC NameN-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide
SMILESO=C(CO)NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO3/c17-13-5-1-11(2-6-13)16(22,10-19-15(21)9-20)12-3-7-14(18)8-4-12/h1-8,20,22H,9-10H2,(H,19,21)
InChIKeyLCQWOZJPKNQHNH-UHFFFAOYSA-N
XLogP2.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 170437308
(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170437173
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
(4-bromophenyl)-bis(4-chlorophenyl)methanol
CID 2756914
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
1-bromo-4-chlorobenzene
CID 7806
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090396
1-bromo-4-chlorobenzene;[2-(4-chlorophenyl)-2-hydroxy-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 70289568
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
CID 143373788
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide (CID 170437238) is N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide is O=C(CO)NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide?
The InChIKey is LCQWOZJPKNQHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c17-13-5-1-11(2-6-13)16(22,10-19-15(21)9-20)12-3-7-14(18)8-4-12/h1-8,20,22H,9-10H2,(H,19,21).
What are the key properties of N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide?
N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide has a molecular weight of 384.66 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide is sourced from PubChem (CID 170437238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).