N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide

C17H17BrClNO — CID 43696309

IUPACN-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
SMILESCC(C)(NC(=O)c1cccc(CCl)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO/c1-17(2,14-6-8-15(18)9-7-14)20-16(21)13-5-3-4-12(10-13)11-19/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFGLFUYGDSIRZLJ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.85
Rot. Bonds4

About N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide

N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide (PubChem CID 43696309) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
PubChem CID43696309
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
SMILESCC(C)(NC(=O)c1cccc(CCl)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO/c1-17(2,14-6-8-15(18)9-7-14)20-16(21)13-5-3-4-12(10-13)11-19/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFGLFUYGDSIRZLJ-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.85
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

4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 65350197
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
3-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]benzoic acid
CID 122030356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide (CID 43696309) is N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide is CC(C)(NC(=O)c1cccc(CCl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide?
The InChIKey is FGLFUYGDSIRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-17(2,14-6-8-15(18)9-7-14)20-16(21)13-5-3-4-12(10-13)11-19/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide?
N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide has a molecular weight of 366.69 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide is sourced from PubChem (CID 43696309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).