N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide

C24H30BrN5O3 — CID 139377832

IUPACN'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide
SMILESCCN1CCN(C(CCCCC(=O)Nc2ccccc2N)C(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C24H30BrN5O3/c1-2-29-14-15-30(24(29)33)21(23(32)27-18-9-7-8-17(25)16-18)12-5-6-13-22(31)28-20-11-4-3-10-19(20)26/h3-4,7-11,16,21H,2,5-6,12-15,26H2,1H3,(H,27,32)(H,28,31)
InChIKeyKTVSBDCVYBLDIS-UHFFFAOYSA-N
MW516.44 g/mol
LogP4.30
Rot. Bonds10

About N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide

N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide (PubChem CID 139377832) has the molecular formula C24H30BrN5O3 and a molecular weight of 516.44 g/mol. Its IUPAC name is N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide.

Molecular Properties

Compound NameN'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide
PubChem CID139377832
Molecular FormulaC24H30BrN5O3
Molecular Weight516.44 g/mol
Exact Mass515.15
IUPAC NameN'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide
SMILESCCN1CCN(C(CCCCC(=O)Nc2ccccc2N)C(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C24H30BrN5O3/c1-2-29-14-15-30(24(29)33)21(23(32)27-18-9-7-8-17(25)16-18)12-5-6-13-22(31)28-20-11-4-3-10-19(20)26/h3-4,7-11,16,21H,2,5-6,12-15,26H2,1H3,(H,27,32)(H,28,31)
InChIKeyKTVSBDCVYBLDIS-UHFFFAOYSA-N
XLogP4.30
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.44
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-(2-aminoanilino)-7-(3-bromoanilino)-1,7-dioxoheptan-2-yl]carbamate
CID 139377808
N-(3-bromophenyl)-N'-[2-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]heptanediamide
CID 91971301
[7-(2-aminoanilino)-1-(3-ethoxyanilino)-1,7-dioxoheptan-2-yl]carbamic acid
CID 139368334
N-(3-bromophenyl)heptanamide
CID 4596383
N-(2-aminophenyl)octadecanamide
CID 68839220
ethyl N-[7-(2-aminoanilino)-1-[3-(1,1-difluoroethyl)anilino]-1,7-dioxoheptan-2-yl]carbamate
CID 139378186
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
[7-(2-aminoanilino)-1-(3-cyclopropyloxyanilino)-1,7-dioxoheptan-2-yl]carbamic acid
CID 139368315
N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
CID 163795898
N-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-(3-bromophenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanamide
CID 112760674

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide?
The IUPAC name of N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide (CID 139377832) is N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide.
What is the SMILES notation for N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide?
The canonical SMILES for N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide is CCN1CCN(C(CCCCC(=O)Nc2ccccc2N)C(=O)Nc2cccc(Br)c2)C1=O.
What is the InChIKey of N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide?
The InChIKey is KTVSBDCVYBLDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN5O3/c1-2-29-14-15-30(24(29)33)21(23(32)27-18-9-7-8-17(25)16-18)12-5-6-13-22(31)28-20-11-4-3-10-19(20)26/h3-4,7-11,16,21H,2,5-6,12-15,26H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide?
N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide has a molecular weight of 516.44 g/mol, XLogP of 4.30, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminophenyl)-N-(3-bromophenyl)-2-(3-ethyl-2-oxoimidazolidin-1-yl)heptanediamide is sourced from PubChem (CID 139377832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).