N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide

C16H17BrN2O2 — CID 43549510

IUPACN-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-3,5-8,10H,4,9,18H2,1H3,(H,19,20)
InChIKeyLJHDUDKKLAKWKE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.61
Rot. Bonds5

About N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide

N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 43549510) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID43549510
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-3,5-8,10H,4,9,18H2,1H3,(H,19,20)
InChIKeyLJHDUDKKLAKWKE-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 26159691
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide (CID 43549510) is N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LJHDUDKKLAKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-3,5-8,10H,4,9,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide?
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 43549510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).