N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide

C16H15BrClNO — CID 43346454

IUPACN-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C16H15BrClNO/c1-19(11-12-5-7-15(17)8-6-12)16(20)14-4-2-3-13(9-14)10-18/h2-9H,10-11H2,1H3
InChIKeyMSSODNHFEYRTAX-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide

N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide (PubChem CID 43346454) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
PubChem CID43346454
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C16H15BrClNO/c1-19(11-12-5-7-15(17)8-6-12)16(20)14-4-2-3-13(9-14)10-18/h2-9H,10-11H2,1H3
InChIKeyMSSODNHFEYRTAX-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.46
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

3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide (CID 43346454) is N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1cccc(CCl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide?
The InChIKey is MSSODNHFEYRTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-19(11-12-5-7-15(17)8-6-12)16(20)14-4-2-3-13(9-14)10-18/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide?
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide is sourced from PubChem (CID 43346454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).