N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide

C15H21Br2NO — CID 106288072

IUPACN-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21Br2NO/c1-3-12(4-2)14(17)10-18-15(19)9-11-6-5-7-13(16)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyYVPDTYJOILAFCE-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.31
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide

N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide (PubChem CID 106288072) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
PubChem CID106288072
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21Br2NO/c1-3-12(4-2)14(17)10-18-15(19)9-11-6-5-7-13(16)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyYVPDTYJOILAFCE-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.31
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

N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 114168757
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
1-(3-bromophenyl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458379
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide (CID 106288072) is N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide is CCC(CC)C(Br)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide?
The InChIKey is YVPDTYJOILAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-3-12(4-2)14(17)10-18-15(19)9-11-6-5-7-13(16)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide?
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide has a molecular weight of 391.15 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 106288072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).