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

C15H14BrClN2O — CID 81359194

IUPAC3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-13(17)14(18)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyJVLDVRKWXWPBDE-VIFPVBQESA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

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

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide (PubChem CID 81359194) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
PubChem CID81359194
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-13(17)14(18)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyJVLDVRKWXWPBDE-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

3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473949
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide (CID 81359194) is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide is C[C@H](NC(=O)c1ccc(Cl)c(N)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The InChIKey is JVLDVRKWXWPBDE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-13(17)14(18)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-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 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 81359194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).