N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide

C15H15BrN2O — CID 43458071

IUPACN-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3
InChIKeySTRLQBUCZAVVMR-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.30
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide

N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide (PubChem CID 43458071) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
PubChem CID43458071
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3
InChIKeySTRLQBUCZAVVMR-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide (CID 43458071) is N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide is CN(Cc1ccc(N)cc1)C(=O)c1cccc(Br)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide?
The InChIKey is STRLQBUCZAVVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide?
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide is sourced from PubChem (CID 43458071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).