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

C16H17ClN2O — CID 81379610

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAWMGLUSDSNAFTI-LLVKDONJSA-N
MW288.78 g/mol
LogP3.87
Rot. Bonds4

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide (PubChem CID 81379610) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
PubChem CID81379610
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAWMGLUSDSNAFTI-LLVKDONJSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide (CID 81379610) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide?
The InChIKey is AWMGLUSDSNAFTI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 81379610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).