N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide

C21H19BrN2O2 — CID 2953787

IUPACN-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-15(26-20-13-7-16(22)8-14-20)21(25)24-19-11-9-18(10-12-19)23-17-5-3-2-4-6-17/h2-15,23H,1H3,(H,24,25)
InChIKeyNFRRWAAVSPLPRO-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.60
Rot. Bonds6

About N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide

N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide (PubChem CID 2953787) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
PubChem CID2953787
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC NameN-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-15(26-20-13-7-16(22)8-14-20)21(25)24-19-11-9-18(10-12-19)23-17-5-3-2-4-6-17/h2-15,23H,1H3,(H,24,25)
InChIKeyNFRRWAAVSPLPRO-UHFFFAOYSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-(4-anilinophenoxy)propanoic acid
CID 43519559

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide?
The IUPAC name of N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide (CID 2953787) is N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide?
The InChIKey is NFRRWAAVSPLPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-15(26-20-13-7-16(22)8-14-20)21(25)24-19-11-9-18(10-12-19)23-17-5-3-2-4-6-17/h2-15,23H,1H3,(H,24,25).
What are the key properties of N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide?
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide has a molecular weight of 411.30 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide is sourced from PubChem (CID 2953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).