4-amino-N-(3-bromophenyl)-N-methylbenzamide

C14H13BrN2O — CID 82094901

IUPAC4-amino-N-(3-bromophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-17(13-4-2-3-11(15)9-13)14(18)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3
InChIKeySEZBBYVZWRPNFF-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.31
Rot. Bonds2

About 4-amino-N-(3-bromophenyl)-N-methylbenzamide

4-amino-N-(3-bromophenyl)-N-methylbenzamide (PubChem CID 82094901) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-amino-N-(3-bromophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-bromophenyl)-N-methylbenzamide
PubChem CID82094901
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-amino-N-(3-bromophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-17(13-4-2-3-11(15)9-13)14(18)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3
InChIKeySEZBBYVZWRPNFF-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromophenyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(3-bromophenyl)-N-methylbenzamide (CID 82094901) is 4-amino-N-(3-bromophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-bromophenyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-bromophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)c1cccc(Br)c1.
What is the InChIKey of 4-amino-N-(3-bromophenyl)-N-methylbenzamide?
The InChIKey is SEZBBYVZWRPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-17(13-4-2-3-11(15)9-13)14(18)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3.
What are the key properties of 4-amino-N-(3-bromophenyl)-N-methylbenzamide?
4-amino-N-(3-bromophenyl)-N-methylbenzamide has a molecular weight of 305.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromophenyl)-N-methylbenzamide is sourced from PubChem (CID 82094901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).