(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide

C16H14BrCl2NO2 — CID 9173008

IUPAC(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-2-15(22-12-6-3-10(18)4-7-12)16(21)20-11-5-8-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyZOZMWZWDDVDGPR-HNNXBMFYSA-N
MW403.10 g/mol
LogP5.55
Rot. Bonds5

About (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide

(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide (PubChem CID 9173008) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
PubChem CID9173008
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-2-15(22-12-6-3-10(18)4-7-12)16(21)20-11-5-8-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyZOZMWZWDDVDGPR-HNNXBMFYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 40742408
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide?
The IUPAC name of (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide (CID 9173008) is (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide?
The InChIKey is ZOZMWZWDDVDGPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-2-15(22-12-6-3-10(18)4-7-12)16(21)20-11-5-8-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide?
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide has a molecular weight of 403.10 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide is sourced from PubChem (CID 9173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).