(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide

C9H10BrClN2O — CID 83230219

IUPAC(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O/c10-6-3-5(1-2-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H2,13,14)/t8-/m1/s1
InChIKeySBXBZEOMKMEJOK-MRVPVSSYSA-N
MW277.55 g/mol
LogP1.98
Rot. Bonds3

About (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide

(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide (PubChem CID 83230219) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
PubChem CID83230219
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O/c10-6-3-5(1-2-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H2,13,14)/t8-/m1/s1
InChIKeySBXBZEOMKMEJOK-MRVPVSSYSA-N
XLogP1.98
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-3-(3-bromo-4-chlorophenyl)propanoate
CID 115563535
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171202987
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
1-(3-bromo-4-chlorophenyl)but-3-en-1-amine
CID 79016120
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide?
The IUPAC name of (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide (CID 83230219) is (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide is NC(=O)C[C@@H](N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide?
The InChIKey is SBXBZEOMKMEJOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-6-3-5(1-2-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H2,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide?
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide has a molecular weight of 277.55 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide is sourced from PubChem (CID 83230219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).