2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide

C11H11BrClF2N3O3 — CID 60847638

IUPAC2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C11H11BrClF2N3O3/c12-5-1-4(13)2-7(9(5)21-11(14)15)18-10(20)6(16)3-8(17)19/h1-2,6,11H,3,16H2,(H2,17,19)(H,18,20)
InChIKeyYGRWUBBYJPSFND-UHFFFAOYSA-N
MW386.58 g/mol
LogP1.85
Rot. Bonds6

About 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide

2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide (PubChem CID 60847638) has the molecular formula C11H11BrClF2N3O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
PubChem CID60847638
Molecular FormulaC11H11BrClF2N3O3
Molecular Weight386.58 g/mol
Exact Mass384.96
IUPAC Name2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C11H11BrClF2N3O3/c12-5-1-4(13)2-7(9(5)21-11(14)15)18-10(20)6(16)3-8(17)19/h1-2,6,11H,3,16H2,(H2,17,19)(H,18,20)
InChIKeyYGRWUBBYJPSFND-UHFFFAOYSA-N
XLogP1.85
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
3-amino-4-(3-bromo-5-chloro-2-methoxyanilino)-4-oxobutanoic acid
CID 64895692
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 60866382
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide (CID 60847638) is 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide?
The InChIKey is YGRWUBBYJPSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF2N3O3/c12-5-1-4(13)2-7(9(5)21-11(14)15)18-10(20)6(16)3-8(17)19/h1-2,6,11H,3,16H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide?
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide has a molecular weight of 386.58 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide is sourced from PubChem (CID 60847638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).