3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide

C15H15ClN2O — CID 28650557

IUPAC3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
SMILESC[C@@H](Nc1cccc(C(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10(13-7-2-3-8-14(13)16)18-12-6-4-5-11(9-12)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyDNQNTXZRSXXULF-SNVBAGLBSA-N
MW274.75 g/mol
LogP3.61
Rot. Bonds4

About 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide (PubChem CID 28650557) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
PubChem CID28650557
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
SMILESC[C@@H](Nc1cccc(C(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10(13-7-2-3-8-14(13)16)18-12-6-4-5-11(9-12)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyDNQNTXZRSXXULF-SNVBAGLBSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
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CID 103935912
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 112722842
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide?
The IUPAC name of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide (CID 28650557) is 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide.
What is the SMILES notation for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide?
The canonical SMILES for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide is C[C@@H](Nc1cccc(C(N)=O)c1)c1ccccc1Cl.
What is the InChIKey of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide?
The InChIKey is DNQNTXZRSXXULF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(13-7-2-3-8-14(13)16)18-12-6-4-5-11(9-12)15(17)19/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide?
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide is sourced from PubChem (CID 28650557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).