3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide

C14H19Cl2NO — CID 100573076

IUPAC3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)10(3)17-14(18)7-5-11-4-6-12(15)13(16)8-11/h4,6,8-10H,5,7H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyXNTTYKBYKMWWFP-SNVBAGLBSA-N
MW288.22 g/mol
LogP4.09
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide

3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide (PubChem CID 100573076) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
PubChem CID100573076
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)10(3)17-14(18)7-5-11-4-6-12(15)13(16)8-11/h4,6,8-10H,5,7H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyXNTTYKBYKMWWFP-SNVBAGLBSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
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3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
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3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 100597850
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide (CID 100573076) is 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The InChIKey is XNTTYKBYKMWWFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(2)10(3)17-14(18)7-5-11-4-6-12(15)13(16)8-11/h4,6,8-10H,5,7H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide has a molecular weight of 288.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 100573076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).