3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide

C23H21Cl2NO — CID 100602252

IUPAC3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C23H21Cl2NO/c1-16-8-5-6-11-18(16)23(17-9-3-2-4-10-17)26-22(27)15-14-19-20(24)12-7-13-21(19)25/h2-13,23H,14-15H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyYBQLFMHWSKEGRI-HSZRJFAPSA-N
MW398.33 g/mol
LogP6.14
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide

3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide (PubChem CID 100602252) has the molecular formula C23H21Cl2NO and a molecular weight of 398.33 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
PubChem CID100602252
Molecular FormulaC23H21Cl2NO
Molecular Weight398.33 g/mol
Exact Mass397.10
IUPAC Name3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C23H21Cl2NO/c1-16-8-5-6-11-18(16)23(17-9-3-2-4-10-17)26-22(27)15-14-19-20(24)12-7-13-21(19)25/h2-13,23H,14-15H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyYBQLFMHWSKEGRI-HSZRJFAPSA-N
XLogP6.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 94018618
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide (CID 100602252) is 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide is Cc1ccccc1[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is YBQLFMHWSKEGRI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21Cl2NO/c1-16-8-5-6-11-18(16)23(17-9-3-2-4-10-17)26-22(27)15-14-19-20(24)12-7-13-21(19)25/h2-13,23H,14-15H2,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide?
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 398.33 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 100602252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).