N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide

C18H21BrN2O2 — CID 119581459

IUPACN-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(11-20)21(2)18(22)14-7-5-8-16(10-14)23-12-15-6-3-4-9-17(15)19/h3-10,13H,11-12,20H2,1-2H3
InChIKeyXQRWTNGDPPMQLG-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.45
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide

N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide (PubChem CID 119581459) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
PubChem CID119581459
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(11-20)21(2)18(22)14-7-5-8-16(10-14)23-12-15-6-3-4-9-17(15)19/h3-10,13H,11-12,20H2,1-2H3
InChIKeyXQRWTNGDPPMQLG-UHFFFAOYSA-N
XLogP3.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
CID 119582860
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
CID 119583694
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide (CID 119581459) is N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide is CC(CN)N(C)C(=O)c1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide?
The InChIKey is XQRWTNGDPPMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(11-20)21(2)18(22)14-7-5-8-16(10-14)23-12-15-6-3-4-9-17(15)19/h3-10,13H,11-12,20H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide?
N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide has a molecular weight of 377.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 119581459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).