N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide

C14H19BrClNO — CID 123843144

IUPACN-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1ccc(CBr)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-5-17(13(18)14(2,3)4)12-7-6-10(9-15)8-11(12)16/h6-8H,5,9H2,1-4H3
InChIKeyWPMJXHDSTIQKLH-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.63
Rot. Bonds3

About N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide

N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 123843144) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
PubChem CID123843144
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1ccc(CBr)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-5-17(13(18)14(2,3)4)12-7-6-10(9-15)8-11(12)16/h6-8H,5,9H2,1-4H3
InChIKeyWPMJXHDSTIQKLH-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.63
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-[2-chloro-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123163392
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 107082384
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
4-(bromomethyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 107084497
4-(bromomethyl)-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082262
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
4-(bromomethyl)-2-chloro-N,N-bis(3-methylbutyl)aniline
CID 107870469

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide (CID 123843144) is N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide is CCN(C(=O)C(C)(C)C)c1ccc(CBr)cc1Cl.
What is the InChIKey of N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is WPMJXHDSTIQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-5-17(13(18)14(2,3)4)12-7-6-10(9-15)8-11(12)16/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide?
N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 332.67 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 123843144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).