2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride

C11H12BrClF3N3O2 — CID 119955848

IUPAC2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N3O2.ClH/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)8(16)4-9(17)19;/h1-3,8H,4,16H2,(H2,17,19)(H,18,20);1H
InChIKeyRFNBIWIWGYVXJU-UHFFFAOYSA-N
MW390.59 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride

2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride (PubChem CID 119955848) has the molecular formula C11H12BrClF3N3O2 and a molecular weight of 390.59 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
PubChem CID119955848
Molecular FormulaC11H12BrClF3N3O2
Molecular Weight390.59 g/mol
Exact Mass388.98
IUPAC Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N3O2.ClH/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)8(16)4-9(17)19;/h1-3,8H,4,16H2,(H2,17,19)(H,18,20);1H
InChIKeyRFNBIWIWGYVXJU-UHFFFAOYSA-N
XLogP2.03
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 81083146
2-bromo-5-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 115296362
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
CID 62727569
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
CID 43077513
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
4-bromo-3-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 107813544
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
CID 64854956

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride (CID 119955848) is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride is Cl.NC(=O)CC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride?
The InChIKey is RFNBIWIWGYVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N3O2.ClH/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)8(16)4-9(17)19;/h1-3,8H,4,16H2,(H2,17,19)(H,18,20);1H.
What are the key properties of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride?
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride has a molecular weight of 390.59 g/mol, XLogP of 2.03, 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-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride is sourced from PubChem (CID 119955848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).