N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide

C11H13BrClNO — CID 114308630

IUPACN-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
SMILESCC(Br)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-8(12)7-14-11(15)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyOGWRJZNGTIUXGR-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.78
Rot. Bonds4

About N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide

N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide (PubChem CID 114308630) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
PubChem CID114308630
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
SMILESCC(Br)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-8(12)7-14-11(15)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyOGWRJZNGTIUXGR-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
3-[[2-(2-chlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261274
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
CID 24543034
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide (CID 114308630) is N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide is CC(Br)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is OGWRJZNGTIUXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(12)7-14-11(15)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide?
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide has a molecular weight of 290.59 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 114308630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).