3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide

C12H13BrClNO — CID 114305198

IUPAC3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
SMILESO=C(NCC(Cl)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrClNO/c13-10-3-1-2-9(6-10)12(16)15-7-11(14)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,15,16)
InChIKeyUUGKJKOVEPUSHB-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.20
Rot. Bonds4

About 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide

3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide (PubChem CID 114305198) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
PubChem CID114305198
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
SMILESO=C(NCC(Cl)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrClNO/c13-10-3-1-2-9(6-10)12(16)15-7-11(14)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,15,16)
InChIKeyUUGKJKOVEPUSHB-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
CID 107966074
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
3-bromo-N-(2-chloro-2-cyclopropylethyl)-2-fluorobenzamide
CID 107956692
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 114305001
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide (CID 114305198) is 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide is O=C(NCC(Cl)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide?
The InChIKey is UUGKJKOVEPUSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-10-3-1-2-9(6-10)12(16)15-7-11(14)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,15,16).
What are the key properties of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide?
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide has a molecular weight of 302.60 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide is sourced from PubChem (CID 114305198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).