(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide

C16H13BrClFN2O2 — CID 175824473

IUPAC(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)c(Cl)c1C(=O)c1ccccc1F
InChIInChI=1S/C16H13BrClFN2O2/c1-8(20)16(23)21-12-7-6-10(17)14(18)13(12)15(22)9-4-2-3-5-11(9)19/h2-8H,20H2,1H3,(H,21,23)/t8-/m1/s1
InChIKeyRNLGNGOPLQOICG-MRVPVSSYSA-N
MW399.65 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide

(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide (PubChem CID 175824473) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide
PubChem CID175824473
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC Name(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)c(Cl)c1C(=O)c1ccccc1F
InChIInChI=1S/C16H13BrClFN2O2/c1-8(20)16(23)21-12-7-6-10(17)14(18)13(12)15(22)9-4-2-3-5-11(9)19/h2-8H,20H2,1H3,(H,21,23)/t8-/m1/s1
InChIKeyRNLGNGOPLQOICG-MRVPVSSYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
tert-butyl N-[1-[4-bromo-3-chloro-2-(2,6-difluorobenzoyl)anilino]-1-oxobutan-2-yl]carbamate
CID 166771269
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide (CID 175824473) is (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(Br)c(Cl)c1C(=O)c1ccccc1F.
What is the InChIKey of (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide?
The InChIKey is RNLGNGOPLQOICG-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c1-8(20)16(23)21-12-7-6-10(17)14(18)13(12)15(22)9-4-2-3-5-11(9)19/h2-8H,20H2,1H3,(H,21,23)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide?
(2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide has a molecular weight of 399.65 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-bromo-3-chloro-2-(2-fluorobenzoyl)phenyl]propanamide is sourced from PubChem (CID 175824473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).