3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

C17H19ClN2O — CID 30537602

IUPAC3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)c2cccnc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-5-6-14(10-16(12)18)7-8-17(21)20-13(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDXSZFTDCKHVLBT-CYBMUJFWSA-N
MW302.81 g/mol
LogP3.85
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (PubChem CID 30537602) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
PubChem CID30537602
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C)c2cccnc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-5-6-14(10-16(12)18)7-8-17(21)20-13(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDXSZFTDCKHVLBT-CYBMUJFWSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (CID 30537602) is 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is Cc1ccc(CCC(=O)N[C@H](C)c2cccnc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is DXSZFTDCKHVLBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-5-6-14(10-16(12)18)7-8-17(21)20-13(2)15-4-3-9-19-11-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 30537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).