3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride

C19H22BrClN2O — CID 120608805

IUPAC3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C19H21BrN2O.ClH/c20-16-6-3-4-14(12-16)13-22(17-9-10-17)19(23)11-8-15-5-1-2-7-18(15)21;/h1-7,12,17H,8-11,13,21H2;1H
InChIKeyFPPFOCFSJMOESS-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.58
Rot. Bonds6

About 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride

3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride (PubChem CID 120608805) has the molecular formula C19H22BrClN2O and a molecular weight of 409.76 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
PubChem CID120608805
Molecular FormulaC19H22BrClN2O
Molecular Weight409.76 g/mol
Exact Mass408.06
IUPAC Name3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C19H21BrN2O.ClH/c20-16-6-3-4-14(12-16)13-22(17-9-10-17)19(23)11-8-15-5-1-2-7-18(15)21;/h1-7,12,17H,8-11,13,21H2;1H
InChIKeyFPPFOCFSJMOESS-UHFFFAOYSA-N
XLogP4.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.58
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

3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
CID 119715240
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
(3-bromophenyl)methyl 3-(2-aminophenyl)propanoate
CID 107273924
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
CID 56539357
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52572835
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
CID 120611849

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride (CID 120608805) is 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride?
The InChIKey is FPPFOCFSJMOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O.ClH/c20-16-6-3-4-14(12-16)13-22(17-9-10-17)19(23)11-8-15-5-1-2-7-18(15)21;/h1-7,12,17H,8-11,13,21H2;1H.
What are the key properties of 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride?
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride has a molecular weight of 409.76 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride is sourced from PubChem (CID 120608805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).