N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide

C12H13BrClNO — CID 114315975

IUPACN-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H13BrClNO/c13-11(8-4-5-8)7-15-12(16)9-2-1-3-10(14)6-9/h1-3,6,8,11H,4-5,7H2,(H,15,16)
InChIKeyUBICEBIULLCTIQ-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.24
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide

N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide (PubChem CID 114315975) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
PubChem CID114315975
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H13BrClNO/c13-11(8-4-5-8)7-15-12(16)9-2-1-3-10(14)6-9/h1-3,6,8,11H,4-5,7H2,(H,15,16)
InChIKeyUBICEBIULLCTIQ-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.24
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-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
N-(2-bromo-2-cyclopropylethyl)-3-chloro-5-methylbenzamide
CID 114315780
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide (CID 114315975) is N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide is O=C(NCC(Br)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide?
The InChIKey is UBICEBIULLCTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-11(8-4-5-8)7-15-12(16)9-2-1-3-10(14)6-9/h1-3,6,8,11H,4-5,7H2,(H,15,16).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide?
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide has a molecular weight of 302.60 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide is sourced from PubChem (CID 114315975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).