(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide

C17H16Cl2N2O2 — CID 70062971

IUPAC(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
SMILESNC(=O)C[C@@H](Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H16Cl2N2O2/c18-14-6-12(7-15(19)9-14)11-3-1-10(2-4-11)5-13(17(21)23)8-16(20)22/h1-4,6-7,9,13H,5,8H2,(H2,20,22)(H2,21,23)/t13-/m1/s1
InChIKeyNPHQELWJPQENOA-CYBMUJFWSA-N
MW351.23 g/mol
LogP3.18
Rot. Bonds6

About (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide

(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide (PubChem CID 70062971) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
PubChem CID70062971
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
SMILESNC(=O)C[C@@H](Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H16Cl2N2O2/c18-14-6-12(7-15(19)9-14)11-3-1-10(2-4-11)5-13(17(21)23)8-16(20)22/h1-4,6-7,9,13H,5,8H2,(H2,20,22)(H2,21,23)/t13-/m1/s1
InChIKeyNPHQELWJPQENOA-CYBMUJFWSA-N
XLogP3.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
4-(4-chlorophenyl)-3-hydroxybutanamide
CID 70557750
2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide
CID 70063500
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]butanediamide
CID 70064312
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
4-amino-2-[(4-boronophenyl)methyl]-4-oxobutanoic acid
CID 174055312
2-[(2-hydroxyphenyl)methyl]butanediamide
CID 70063136
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide?
The IUPAC name of (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide (CID 70062971) is (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide.
What is the SMILES notation for (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide?
The canonical SMILES for (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide is NC(=O)C[C@@H](Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(N)=O.
What is the InChIKey of (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide?
The InChIKey is NPHQELWJPQENOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-6-12(7-15(19)9-14)11-3-1-10(2-4-11)5-13(17(21)23)8-16(20)22/h1-4,6-7,9,13H,5,8H2,(H2,20,22)(H2,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide?
(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide has a molecular weight of 351.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide is sourced from PubChem (CID 70062971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).