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

C15H15ClN2O — CID 81372365

IUPAC2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRDKSFXWRRNBBNK-SNVBAGLBSA-N
MW274.75 g/mol
LogP3.41
Rot. Bonds3

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

2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (PubChem CID 81372365) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
PubChem CID81372365
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRDKSFXWRRNBBNK-SNVBAGLBSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.41
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

5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
CID 28544473
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (CID 81372365) is 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccccc1N)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is RDKSFXWRRNBBNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 81372365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).