2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide

C10H7Br2Cl2NO — CID 78860380

IUPAC2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)C1CC1(Cl)Cl
InChIInChI=1S/C10H7Br2Cl2NO/c11-5-1-2-7(12)8(3-5)15-9(16)6-4-10(6,13)14/h1-3,6H,4H2,(H,15,16)
InChIKeyWMKQSCBOCRZOFI-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.34
Rot. Bonds2

About 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide (PubChem CID 78860380) has the molecular formula C10H7Br2Cl2NO and a molecular weight of 387.89 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
PubChem CID78860380
Molecular FormulaC10H7Br2Cl2NO
Molecular Weight387.89 g/mol
Exact Mass384.83
IUPAC Name2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)C1CC1(Cl)Cl
InChIInChI=1S/C10H7Br2Cl2NO/c11-5-1-2-7(12)8(3-5)15-9(16)6-4-10(6,13)14/h1-3,6H,4H2,(H,15,16)
InChIKeyWMKQSCBOCRZOFI-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.34
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

3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
methyl 3-[[(1S)-2,2-dichlorocyclopropanecarbonyl]amino]-4-methylbenzoate
CID 7920453
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide (CID 78860380) is 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide is O=C(Nc1cc(Br)ccc1Br)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide?
The InChIKey is WMKQSCBOCRZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2Cl2NO/c11-5-1-2-7(12)8(3-5)15-9(16)6-4-10(6,13)14/h1-3,6H,4H2,(H,15,16).
What are the key properties of 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78860380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).