N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide

C11H14ClFN4O — CID 103552696

IUPACN-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide
SMILESNc1cc(N)c(NCC(=O)NC2CC2)c(F)c1Cl
InChIInChI=1S/C11H14ClFN4O/c12-9-6(14)3-7(15)11(10(9)13)16-4-8(18)17-5-1-2-5/h3,5,16H,1-2,4,14-15H2,(H,17,18)
InChIKeyGQVXFERYKNVRAQ-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.33
Rot. Bonds4

About N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide

N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide (PubChem CID 103552696) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide
PubChem CID103552696
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC NameN-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide
SMILESNc1cc(N)c(NCC(=O)NC2CC2)c(F)c1Cl
InChIInChI=1S/C11H14ClFN4O/c12-9-6(14)3-7(15)11(10(9)13)16-4-8(18)17-5-1-2-5/h3,5,16H,1-2,4,14-15H2,(H,17,18)
InChIKeyGQVXFERYKNVRAQ-UHFFFAOYSA-N
XLogP1.33
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclopropyl]methanol
CID 103553357
5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
CID 103552522
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
N-cyclopropyl-2-(2,5-difluoroanilino)acetamide
CID 28574514
[4-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]phenyl]methanol
CID 107231596
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810286

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide (CID 103552696) is N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide is Nc1cc(N)c(NCC(=O)NC2CC2)c(F)c1Cl.
What is the InChIKey of N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide?
The InChIKey is GQVXFERYKNVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c12-9-6(14)3-7(15)11(10(9)13)16-4-8(18)17-5-1-2-5/h3,5,16H,1-2,4,14-15H2,(H,17,18).
What are the key properties of N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide?
N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide has a molecular weight of 272.71 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide is sourced from PubChem (CID 103552696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).