2-amino-N-(4-chloro-2-fluorophenyl)butanediamide

C10H11ClFN3O2 — CID 54928613

IUPAC2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17)
InChIKeyGIUCLVWIRFVICO-UHFFFAOYSA-N
MW259.67 g/mol
LogP0.62
Rot. Bonds4

About 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide

2-amino-N-(4-chloro-2-fluorophenyl)butanediamide (PubChem CID 54928613) has the molecular formula C10H11ClFN3O2 and a molecular weight of 259.67 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
PubChem CID54928613
Molecular FormulaC10H11ClFN3O2
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC Name2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17)
InChIKeyGIUCLVWIRFVICO-UHFFFAOYSA-N
XLogP0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
CID 79766618
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
CID 60847978
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926138
(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107830691
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide?
The IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide (CID 54928613) is 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide is NC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide?
The InChIKey is GIUCLVWIRFVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide?
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide has a molecular weight of 259.67 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-fluorophenyl)butanediamide is sourced from PubChem (CID 54928613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).