N-bromo-N-cyclopropyl-2-methylbenzamide

C11H12BrNO — CID 123832200

IUPACN-bromo-N-cyclopropyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Br)C1CC1
InChIInChI=1S/C11H12BrNO/c1-8-4-2-3-5-10(8)11(14)13(12)9-6-7-9/h2-5,9H,6-7H2,1H3
InChIKeySCDYVJXJWVLXDQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.91
Rot. Bonds2

About N-bromo-N-cyclopropyl-2-methylbenzamide

N-bromo-N-cyclopropyl-2-methylbenzamide (PubChem CID 123832200) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-bromo-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound NameN-bromo-N-cyclopropyl-2-methylbenzamide
PubChem CID123832200
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-bromo-N-cyclopropyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Br)C1CC1
InChIInChI=1S/C11H12BrNO/c1-8-4-2-3-5-10(8)11(14)13(12)9-6-7-9/h2-5,9H,6-7H2,1H3
InChIKeySCDYVJXJWVLXDQ-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-chloro-N,2-dimethylbenzamide
CID 166437996
N-iodo-N,2-dimethylbenzamide
CID 143099347
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide
CID 79118080
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioyl dibromide
CID 23513441
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of N-bromo-N-cyclopropyl-2-methylbenzamide (CID 123832200) is N-bromo-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for N-bromo-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for N-bromo-N-cyclopropyl-2-methylbenzamide is Cc1ccccc1C(=O)N(Br)C1CC1.
What is the InChIKey of N-bromo-N-cyclopropyl-2-methylbenzamide?
The InChIKey is SCDYVJXJWVLXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8-4-2-3-5-10(8)11(14)13(12)9-6-7-9/h2-5,9H,6-7H2,1H3.
What are the key properties of N-bromo-N-cyclopropyl-2-methylbenzamide?
N-bromo-N-cyclopropyl-2-methylbenzamide has a molecular weight of 254.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 123832200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).