4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide

C15H14BrClN2O — CID 81396694

IUPAC4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyFOHURNJDADOLFU-VIFPVBQESA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

About 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide

4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide (PubChem CID 81396694) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
PubChem CID81396694
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyFOHURNJDADOLFU-VIFPVBQESA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
N-[(1S)-1-(2-bromophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9220088

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide?
The IUPAC name of 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide (CID 81396694) is 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide is C[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide?
The InChIKey is FOHURNJDADOLFU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide?
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide is sourced from PubChem (CID 81396694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).