(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide

C15H22ClNO — CID 46226107

IUPAC(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-10(2)13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyHXRDPRMNITUMNC-ZDUSSCGKSA-N
MW267.80 g/mol
LogP3.99
Rot. Bonds3

About (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide

(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 46226107) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide
PubChem CID46226107
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-10(2)13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyHXRDPRMNITUMNC-ZDUSSCGKSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide (CID 46226107) is (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide is CC(C)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is HXRDPRMNITUMNC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)13(14(18)17-15(3,4)5)11-6-8-12(16)9-7-11/h6-10,13H,1-5H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide?
(2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 267.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 46226107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).