(2R)-2-(3-chlorophenyl)butanediamide

C10H11ClN2O2 — CID 94675074

IUPAC(2R)-2-(3-chlorophenyl)butanediamide
SMILESNC(=O)C[C@@H](C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/t8-/m1/s1
InChIKeyJFVGDJDUWGCHNT-MRVPVSSYSA-N
MW226.66 g/mol
LogP0.78
Rot. Bonds4

About (2R)-2-(3-chlorophenyl)butanediamide

(2R)-2-(3-chlorophenyl)butanediamide (PubChem CID 94675074) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)butanediamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)butanediamide
PubChem CID94675074
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(2R)-2-(3-chlorophenyl)butanediamide
SMILESNC(=O)C[C@@H](C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/t8-/m1/s1
InChIKeyJFVGDJDUWGCHNT-MRVPVSSYSA-N
XLogP0.78
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
(2R)-2-(3-chlorophenyl)butanedioyl dichloride
CID 98129440
2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 155375375
3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
(2S)-4-amino-2-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718308
(2R)-4-amino-2-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826878
2-(4-fluorophenyl)butanediamide
CID 69053213
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
(2E,5E)-4-(3-chlorophenyl)hepta-2,5-dienediamide
CID 170877400

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)butanediamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)butanediamide (CID 94675074) is (2R)-2-(3-chlorophenyl)butanediamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)butanediamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)butanediamide is NC(=O)C[C@@H](C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)butanediamide?
The InChIKey is JFVGDJDUWGCHNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)butanediamide?
(2R)-2-(3-chlorophenyl)butanediamide has a molecular weight of 226.66 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)butanediamide is sourced from PubChem (CID 94675074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).