N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide

C11H12BrCl2NO — CID 104556293

IUPACN-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-7(6-12)15(2)11(16)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeyCTSYBQFHXQRTDS-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.85
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide

N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide (PubChem CID 104556293) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
PubChem CID104556293
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-7(6-12)15(2)11(16)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeyCTSYBQFHXQRTDS-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
N-(1-bromopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 104556229
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide (CID 104556293) is N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide is CC(CBr)N(C)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide?
The InChIKey is CTSYBQFHXQRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-7(6-12)15(2)11(16)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide?
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide has a molecular weight of 325.03 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide is sourced from PubChem (CID 104556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).