N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide

C16H19Br2N3O — CID 55532584

IUPACN-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
SMILESN#CC1(NC(=O)CNc2ccc(Br)cc2Br)CCCCCC1
InChIInChI=1S/C16H19Br2N3O/c17-12-5-6-14(13(18)9-12)20-10-15(22)21-16(11-19)7-3-1-2-4-8-16/h5-6,9,20H,1-4,7-8,10H2,(H,21,22)
InChIKeyJBFHOMKGJMUPNH-UHFFFAOYSA-N
MW429.16 g/mol
LogP4.36
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide

N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide (PubChem CID 55532584) has the molecular formula C16H19Br2N3O and a molecular weight of 429.16 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
PubChem CID55532584
Molecular FormulaC16H19Br2N3O
Molecular Weight429.16 g/mol
Exact Mass426.99
IUPAC NameN-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
SMILESN#CC1(NC(=O)CNc2ccc(Br)cc2Br)CCCCCC1
InChIInChI=1S/C16H19Br2N3O/c17-12-5-6-14(13(18)9-12)20-10-15(22)21-16(11-19)7-3-1-2-4-8-16/h5-6,9,20H,1-4,7-8,10H2,(H,21,22)
InChIKeyJBFHOMKGJMUPNH-UHFFFAOYSA-N
XLogP4.36
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.16
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
4-bromo-N-[3-[(1-cyanocyclohexyl)amino]-3-oxopropyl]benzamide
CID 99167829
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide (CID 55532584) is N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide is N#CC1(NC(=O)CNc2ccc(Br)cc2Br)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide?
The InChIKey is JBFHOMKGJMUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2N3O/c17-12-5-6-14(13(18)9-12)20-10-15(22)21-16(11-19)7-3-1-2-4-8-16/h5-6,9,20H,1-4,7-8,10H2,(H,21,22).
What are the key properties of N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide?
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide has a molecular weight of 429.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide is sourced from PubChem (CID 55532584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).