4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide

C17H19ClN2O — CID 81375650

IUPAC4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCN)cc1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)14-8-6-13(7-9-14)10-11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNKLWXLSFBSNXFM-LBPRGKRZSA-N
MW302.81 g/mol
LogP3.33
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide

4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide (PubChem CID 81375650) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
PubChem CID81375650
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCN)cc1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)14-8-6-13(7-9-14)10-11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNKLWXLSFBSNXFM-LBPRGKRZSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
CID 114417205
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide (CID 81375650) is 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(CCN)cc1)c1ccccc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The InChIKey is NKLWXLSFBSNXFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(15-4-2-3-5-16(15)18)20-17(21)14-8-6-13(7-9-14)10-11-19/h2-9,12H,10-11,19H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 81375650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).